EINECS 262-485-7
TL;DR: EINECS 262-485-7 (CAS 60864-45-1) is a chemical compound with molecular formula C25H29FO9 and molecular weight 492.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,8R,10S,11S,15S)-14-(carboxymethyl)-8-fluoro-12-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-3-hydroxy-4-oxobutanoic acid
Also Known As: EINECS 262-485-7, 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate), 17-(3-Carboxy-2-hydroxypropanoyl)-6-fluoro-15-hydroxy-3-oxo-9,11-epoxypregna-1,4-dien-21-oic acid, 4-[(4aS,6aS,9aS,9bS,11R)-7-(Carboxymethyl)-11-fluoro-9-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]-3-hydroxy-4-oxobutanoic acid
| Molecular Formula | C25H29FO9 |
|---|---|
| Molecular Weight | 492.18 g/mol |
| LogP | 1.2102 |
| Topological Polar Surface Area | 161.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.17957 |
| Heavy Atoms | 35 |
| Complexity | 1098.4956 |
Chemical Identifiers
| CAS Number | 60864-45-1 |
|---|---|
| SMILES | C[C@]12CC3C4(O3)[C@H]([C@@H]1C(CC2(CC(=O)O)C(=O)C(CC(=O)O)O)O)C[C@H](C5=CC(=O)C=C[C@]45C)F |
Product Overview
EINECS 262-485-7 (CAS 60864-45-1), with molecular formula C25H29FO9 and molecular weight 492.18 g/mol. IUPAC: 4-[(2S,8R,10S,11S,15S)-14-(carboxymethyl)-8-fluoro-12-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-3-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of EINECS 262-485-7
Property Insights of EINECS 262-485-7
The XLogP value of 1.2102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-485-7. The TPSA of 161.73 Ų indicates high polarity, suggesting EINECS 262-485-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 262-485-7 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-485-7?
The CAS number of EINECS 262-485-7 is 60864-45-1.
What is the molecular formula of EINECS 262-485-7?
The molecular formula of EINECS 262-485-7 is C25H29FO9.
What is the molecular weight of EINECS 262-485-7?
The molecular weight of EINECS 262-485-7 is 492.18 g/mol.
Where can I buy EINECS 262-485-7?
You can request a quote for EINECS 262-485-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-485-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-485-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.