RefChem:128805
TL;DR: RefChem:128805 (CAS 73836-75-6) is a chemical compound with molecular formula C34H28CuN4Na2O6 and molecular weight 697.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;disodium;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-12-(oxidomethylidene)-4-oxo-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-decaene-3-carboxylate
Also Known As: Copper(2+) sodium 3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-4,8,18-trimethyl-13-(oxidomethylidene)-20-oxo-23,25-didehydro-4,13,20,21-tetrahydro-3H-phorbin-25-ide-21-carboxylate (1/2/1), Copper, (21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropionato(2-)-), disodium, Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, disodium, (SP-4-2)-, Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, sodium (1:2), (SP-4-2)-, Cuprate(2-), [(3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, disodium, (SP-4-2)-
| Molecular Formula | C34H28CuN4Na2O6 |
|---|---|
| Molecular Weight | 697.11 g/mol |
| LogP | -6.21028 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 697.11005 |
| Heavy Atoms | 47 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 73836-75-6 |
|---|---|
| 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)[O-])C)C(=O)[O-])C.[Na+].[Na+].[Cu+2] |
| InChIKey | NQCLFUXEJVHWDY-UHFFFAOYSA-J |
Product Overview
RefChem:128805 (CAS 73836-75-6), with molecular formula C34H28CuN4Na2O6 and molecular weight 697.11 g/mol. IUPAC: copper;disodium;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-12-(oxidomethylidene)-4-oxo-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-decaene-3-carboxylate.
Chemical Property Profile of RefChem:128805
Property Insights of RefChem:128805
The XLogP value of -6.21028 indicates that RefChem:128805 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting RefChem:128805 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:128805 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:128805?
The CAS number of RefChem:128805 is 73836-75-6.
What is the molecular formula of RefChem:128805?
The molecular formula of RefChem:128805 is C34H28CuN4Na2O6.
What is the molecular weight of RefChem:128805?
The molecular weight of RefChem:128805 is 697.11 g/mol.
Where can I buy RefChem:128805?
You can request a quote for RefChem:128805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:128805?
Yes, KEHONG BIO provides custom synthesis services for RefChem:128805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.