EINECS 262-717-7
TL;DR: EINECS 262-717-7 (CAS 61339-37-5) is a chemical compound with molecular formula C22H27BrF2O4 and molecular weight 472.11 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)-17-bromo-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: EINECS 262-717-7, 17-Bromo-6beta,9-difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, (6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, 17-Bromo-6,9-difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione, (9xi)-17-Bromo-6beta,9-difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
| Molecular Formula | C22H27BrF2O4 |
|---|---|
| Molecular Weight | 472.11 g/mol |
| LogP | 3.2463 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.10608 |
| Heavy Atoms | 29 |
| Complexity | 842.6689 |
Chemical Identifiers
| CAS Number | 61339-37-5 |
|---|---|
| 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)Br)C)O)F)C)F |
Product Overview
EINECS 262-717-7 (CAS 61339-37-5), with molecular formula C22H27BrF2O4 and molecular weight 472.11 g/mol. IUPAC: (6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-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 262-717-7
Property Insights of EINECS 262-717-7
The XLogP value of 3.2463 indicates that EINECS 262-717-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-717-7. Following Lipinski's Rule of Five, EINECS 262-717-7 has 2 hydrogen bond donor(s) and 4 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 262-717-7?
The CAS number of EINECS 262-717-7 is 61339-37-5.
What is the molecular formula of EINECS 262-717-7?
The molecular formula of EINECS 262-717-7 is C22H27BrF2O4.
What is the molecular weight of EINECS 262-717-7?
The molecular weight of EINECS 262-717-7 is 472.11 g/mol.
Where can I buy EINECS 262-717-7?
You can request a quote for EINECS 262-717-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-717-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-717-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.