EINECS 277-166-8
TL;DR: EINECS 277-166-8 (CAS 72984-33-9) is a chemical compound with molecular formula C34H32N4Na2O5 and molecular weight 622.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(3R,21S,22S)-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: Disodium [3S(3alpha,4beta,21beta)]-21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate, 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, disodium salt, (3S,4S,21R)-, 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, sodium salt (1:2), (3S,4S,21R)-, 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, disodium salt, [3S-(3.alpha.,4.beta.,21.beta.)]-, Disodium (3S(3alpha,4beta,21beta))-21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate
| Molecular Formula | C34H32N4Na2O5 |
|---|---|
| Molecular Weight | 622.22 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 | 622.2168 |
| Heavy Atoms | 45 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 72984-33-9 |
|---|---|
| SMILES | CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)[O-])C4=N3)C(=O)[O-])O)C)C.[Na+].[Na+] |
| InChIKey | AVNUUXZZPMAGJR-YMZOKDGGSA-L |
Product Overview
EINECS 277-166-8 (CAS 72984-33-9), with molecular formula C34H32N4Na2O5 and molecular weight 622.22 g/mol. IUPAC: disodium;(3R,21S,22S)-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 277-166-8
Property Insights of EINECS 277-166-8
The XLogP value of -2.642 indicates that EINECS 277-166-8 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 277-166-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 277-166-8 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 277-166-8?
The CAS number of EINECS 277-166-8 is 72984-33-9.
What is the molecular formula of EINECS 277-166-8?
The molecular formula of EINECS 277-166-8 is C34H32N4Na2O5.
What is the molecular weight of EINECS 277-166-8?
The molecular weight of EINECS 277-166-8 is 622.22 g/mol.
Where can I buy EINECS 277-166-8?
You can request a quote for EINECS 277-166-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 277-166-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 277-166-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.