EINECS 262-493-0
TL;DR: EINECS 262-493-0 (CAS 60864-54-2) is a chemical compound with molecular formula C22H28BrFO5 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,8S,10S,11S,13S,14S,16R,17R)-9-bromo-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: EINECS 262-493-0, 9-Bromo-6-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 9-Bromo-6beta-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, (6R,8S,10S,11S,13S,14S,16R,17R)-9-bromo-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, (9xi)-9-Bromo-6beta-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
| Molecular Formula | C22H28BrFO5 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 2.2691 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.1104 |
| Heavy Atoms | 29 |
| Complexity | 841.05927 |
Chemical Identifiers
| CAS Number | 60864-54-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Br)C)F |
Product Overview
EINECS 262-493-0 (CAS 60864-54-2), with molecular formula C22H28BrFO5 and molecular weight 470.11 g/mol. IUPAC: (6R,8S,10S,11S,13S,14S,16R,17R)-9-bromo-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of EINECS 262-493-0
Property Insights of EINECS 262-493-0
The XLogP value of 2.2691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-493-0. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-493-0. Following Lipinski's Rule of Five, EINECS 262-493-0 has 3 hydrogen bond donor(s) and 5 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 262-493-0?
The CAS number of EINECS 262-493-0 is 60864-54-2.
What is the molecular formula of EINECS 262-493-0?
The molecular formula of EINECS 262-493-0 is C22H28BrFO5.
What is the molecular weight of EINECS 262-493-0?
The molecular weight of EINECS 262-493-0 is 470.11 g/mol.
Where can I buy EINECS 262-493-0?
You can request a quote for EINECS 262-493-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-493-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-493-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.