EINECS 253-820-8
TL;DR: EINECS 253-820-8 (CAS 38196-44-0) is a chemical compound with molecular formula C32H45FO7 and molecular weight 560.31 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-hydroxy-10,13,16-trimethyl-3-oxo-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
Also Known As: EINECS 253-820-8, 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate), [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate, 2-[(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1-(pentanoyloxy)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl pentanoate, 9-Fluoro-11-hydroxy-16-methyl-3,20-dioxo-11beta,16beta-pregna-1,4-diene-17,21-diyl dipentanoate
| Molecular Formula | C32H45FO7 |
|---|---|
| Molecular Weight | 560.31 g/mol |
| LogP | 5.3779 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 560.31494 |
| Heavy Atoms | 40 |
| Complexity | 1112.5432 |
Chemical Identifiers
| CAS Number | 38196-44-0 |
|---|---|
| SMILES | CCCCC(=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)OC(=O)CCCC |
Product Overview
EINECS 253-820-8 (CAS 38196-44-0), with molecular formula C32H45FO7 and molecular weight 560.31 g/mol. IUPAC: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate.
Chemical Property Profile of EINECS 253-820-8
Property Insights of EINECS 253-820-8
The XLogP value of 5.3779 indicates that EINECS 253-820-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 253-820-8. Following Lipinski's Rule of Five, EINECS 253-820-8 has 1 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 253-820-8?
The CAS number of EINECS 253-820-8 is 38196-44-0.
What is the molecular formula of EINECS 253-820-8?
The molecular formula of EINECS 253-820-8 is C32H45FO7.
What is the molecular weight of EINECS 253-820-8?
The molecular weight of EINECS 253-820-8 is 560.31 g/mol.
Where can I buy EINECS 253-820-8?
You can request a quote for EINECS 253-820-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 253-820-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 253-820-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.