EINECS 262-495-1
TL;DR: EINECS 262-495-1 (CAS 60864-62-2) is a chemical compound with molecular formula C23H28BrFO6 and molecular weight 498.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-495-1, 2-Bromo-6beta-fluoro-11alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, [2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 2-Bromo-6beta-fluoro-11alpha,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate, 21-Acetoxy-2-bromo-6beta-fluoro-11alpha,17-dihydroxypregna-1,4-diene-3,20-dione
| Molecular Formula | C23H28BrFO6 |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | 2.799 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.10532 |
| Heavy Atoms | 31 |
| Complexity | 913.7428 |
Chemical Identifiers
| CAS Number | 60864-62-2 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@H](C4=CC(=O)C(=C[C@]34C)Br)F)O)C)O |
Product Overview
EINECS 262-495-1 (CAS 60864-62-2), with molecular formula C23H28BrFO6 and molecular weight 498.11 g/mol. IUPAC: [2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of EINECS 262-495-1
Property Insights of EINECS 262-495-1
The XLogP value of 2.799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-495-1. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-495-1. Following Lipinski's Rule of Five, EINECS 262-495-1 has 2 hydrogen bond donor(s) and 6 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 262-495-1?
The CAS number of EINECS 262-495-1 is 60864-62-2.
What is the molecular formula of EINECS 262-495-1?
The molecular formula of EINECS 262-495-1 is C23H28BrFO6.
What is the molecular weight of EINECS 262-495-1?
The molecular weight of EINECS 262-495-1 is 498.11 g/mol.
Where can I buy EINECS 262-495-1?
You can request a quote for EINECS 262-495-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-495-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-495-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.