EINECS 260-453-7
TL;DR: EINECS 260-453-7 (CAS 56933-62-1) is a chemical compound with molecular formula C31H45FO6 and molecular weight 532.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] nonanoate
Also Known As: KST-1A6242, 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-nonanoate, (11, A,16, A)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl nonanoate
| Molecular Formula | C31H45FO6 |
|---|---|
| Molecular Weight | 532.32 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 532.32 |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 56933-62-1 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O |
| InChIKey | AWDSCRBRERQCNU-DXPBGWFQSA-N |
Product Overview
EINECS 260-453-7 (CAS 56933-62-1), with molecular formula C31H45FO6 and molecular weight 532.32 g/mol. IUPAC: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] nonanoate.
Chemical Property Profile of EINECS 260-453-7
Property Insights of EINECS 260-453-7
The XLogP value of 6.0 indicates that EINECS 260-453-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 260-453-7. Following Lipinski's Rule of Five, EINECS 260-453-7 has 2 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 260-453-7?
The CAS number of EINECS 260-453-7 is 56933-62-1.
What is the molecular formula of EINECS 260-453-7?
The molecular formula of EINECS 260-453-7 is C31H45FO6.
What is the molecular weight of EINECS 260-453-7?
The molecular weight of EINECS 260-453-7 is 532.32 g/mol.
Where can I buy EINECS 260-453-7?
You can request a quote for EINECS 260-453-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-453-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-453-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.