EINECS 262-479-4
TL;DR: EINECS 262-479-4 (CAS 60864-40-6) is a chemical compound with molecular formula C25H30BrFO9 and molecular weight 572.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6R,8S,10S,11S,13S,14S)-9-bromo-17-(carboxymethyl)-6-fluoro-11,15-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
Also Known As: EINECS 262-479-4, 4-[(3aS,3bS,5R,9aS,10S,11aS)-9b-Bromo-1-(carboxymethyl)-5-fluoro-3,10-dihydroxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-4-oxobutanoic acid, 4-[(6R,8S,10S,11S,13S,14S)-9-bromo-17-(carboxymethyl)-6-fluoro-11,15-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid, 9-Bromo-17-(3-carboxy-2-hydroxypropanoyl)-6-fluoro-11,15-dihydroxy-3-oxopregna-1,4-dien-21-oic acid
| Molecular Formula | C25H30BrFO9 |
|---|---|
| Molecular Weight | 572.11 g/mol |
| LogP | 1.5672 |
| Topological Polar Surface Area | 169.43 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 572.1057 |
| Heavy Atoms | 36 |
| Complexity | 1089.4009 |
Chemical Identifiers
| CAS Number | 60864-40-6 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1C(CC2(CC(=O)O)C(=O)C(CC(=O)O)O)O)C[C@H](C4=CC(=O)C=C[C@@]43C)F)Br)O |
Product Overview
EINECS 262-479-4 (CAS 60864-40-6), with molecular formula C25H30BrFO9 and molecular weight 572.11 g/mol. IUPAC: 4-[(6R,8S,10S,11S,13S,14S)-9-bromo-17-(carboxymethyl)-6-fluoro-11,15-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of EINECS 262-479-4
Property Insights of EINECS 262-479-4
The XLogP value of 1.5672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-479-4. The TPSA of 169.43 Ų indicates high polarity, suggesting EINECS 262-479-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 262-479-4 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-479-4?
The CAS number of EINECS 262-479-4 is 60864-40-6.
What is the molecular formula of EINECS 262-479-4?
The molecular formula of EINECS 262-479-4 is C25H30BrFO9.
What is the molecular weight of EINECS 262-479-4?
The molecular weight of EINECS 262-479-4 is 572.11 g/mol.
Where can I buy EINECS 262-479-4?
You can request a quote for EINECS 262-479-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-479-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-479-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.