EINECS 231-245-3
TL;DR: EINECS 231-245-3 (CAS 7460-19-7) is a chemical compound with molecular formula C34H32K2N4O5 and molecular weight 654.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
Also Known As: 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, dipotassium salt, (3S,4S,21R)-, 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, potassium salt (1:2), (3S,4S,21R)-, 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, dipotassium salt, [3S-(3.alpha.,4.beta.,21.beta.)]-, 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, dipotassium salt, [3S-(3a,4.beta.,21.beta.)]-, Dipotassium (3S(3a,4beta,21beta))-21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate
| Molecular Formula | C34H32K2N4O5 |
|---|---|
| Molecular Weight | 654.16 g/mol |
| LogP | -2.642 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 654.1647 |
| Heavy Atoms | 45 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 7460-19-7 |
|---|---|
| SMILES | CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)[O-])C4=N3)C(=O)[O-])O)C)C.[K+].[K+] |
| InChIKey | FYMCXNJTLIVPAD-UHFFFAOYSA-L |
Product Overview
EINECS 231-245-3 (CAS 7460-19-7), with molecular formula C34H32K2N4O5 and molecular weight 654.16 g/mol. IUPAC: dipotassium;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate.
Chemical Property Profile of EINECS 231-245-3
Property Insights of EINECS 231-245-3
The XLogP value of -2.642 indicates that EINECS 231-245-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting EINECS 231-245-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 231-245-3 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 231-245-3?
The CAS number of EINECS 231-245-3 is 7460-19-7.
What is the molecular formula of EINECS 231-245-3?
The molecular formula of EINECS 231-245-3 is C34H32K2N4O5.
What is the molecular weight of EINECS 231-245-3?
The molecular weight of EINECS 231-245-3 is 654.16 g/mol.
Where can I buy EINECS 231-245-3?
You can request a quote for EINECS 231-245-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 231-245-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 231-245-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.