Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate structure

Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate

TL;DR: Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate (CAS 24111-17-9) is a chemical compound with molecular formula C55H70CuN4O6 and molecular weight 945.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

copper [16-ethenyl-11-ethyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,13(25),14,16,18(24),19-decaen-12-ylidene]methanolate

Also Known As: Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate

CAS: 24111-17-9
Molecular Formula C55H70CuN4O6
Molecular Weight 945.46 g/mol
LogP 9.38352
Topological Polar Surface Area 131.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 10
Rotatable Bonds 22
Exact Mass 945.4591
Heavy Atoms 66
Complexity 2350.0

Chemical Identifiers

CAS Number 24111-17-9
SMILES CCC1=C2C=C3C(=C4C(=O)C(C(=C4[N-]3)C5=NC(=CC6=NC(=CC(=N2)C1=C[O-])C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)C.[Cu+2]
InChIKey RFXUJIBBVYSPKI-UHFFFAOYSA-L

Product Overview

Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate (CAS 24111-17-9), with molecular formula C55H70CuN4O6 and molecular weight 945.46 g/mol. IUPAC: copper [16-ethenyl-11-ethyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,13(25),14,16,18(24),19-decaen-12-ylidene]methanolate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate

XLogP
9.38352
TPSA (Topological Polar Surface Area)
131.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
10
Rotatable Bonds
22
Heavy Atoms
66
Complexity
2350.0
Exact Mass
945.4591
Monoisotopic Mass
945.4591
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate

The XLogP value of 9.38352 indicates that Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate. Following Lipinski's Rule of Five, Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate?

The CAS number of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate is 24111-17-9.

What is the molecular formula of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate?

The molecular formula of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate is C55H70CuN4O6.

What is the molecular weight of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate?

The molecular weight of Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate is 945.46 g/mol.

Where can I buy Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate?

You can request a quote for Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate?

Yes, KEHONG BIO provides custom synthesis services for Copper(2+) [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-23,25-didehydro-3,4,20,21-tetrahydro-13H-phorbin-25-id-13-ylidene]methanolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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