CLOMEGESTONE ACETATE
TL;DR: CLOMEGESTONE ACETATE (CAS 4602-49-7) is a chemical compound with molecular formula C24H31ClO4 and molecular weight 418.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: CLOMEGESTONE ACETATE, KST-1A4905, (8xi,10xi,13xi,16, A)-6-chloro-16-methyl-3,20-dioxopregna-4,6-dien-17-yl acetate, [(9S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C24H31ClO4 |
|---|---|
| Molecular Weight | 418.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.1911 |
| Heavy Atoms | 29 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 4602-49-7 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2C3C=C(C4=CC(=O)CCC4([C@H]3CCC2([C@]1(C(=O)C)OC(=O)C)C)C)Cl |
| InChIKey | WWSKHPDYSWDMNC-AJGRBHDYSA-N |
Product Overview
CLOMEGESTONE ACETATE (CAS 4602-49-7), with molecular formula C24H31ClO4 and molecular weight 418.19 g/mol. IUPAC: [(9S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of CLOMEGESTONE ACETATE
Property Insights of CLOMEGESTONE ACETATE
The XLogP value of 4.0 indicates that CLOMEGESTONE ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CLOMEGESTONE ACETATE. Following Lipinski's Rule of Five, CLOMEGESTONE ACETATE has 0 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 CLOMEGESTONE ACETATE?
The CAS number of CLOMEGESTONE ACETATE is 4602-49-7.
What is the molecular formula of CLOMEGESTONE ACETATE?
The molecular formula of CLOMEGESTONE ACETATE is C24H31ClO4.
What is the molecular weight of CLOMEGESTONE ACETATE?
The molecular weight of CLOMEGESTONE ACETATE is 418.19 g/mol.
Where can I buy CLOMEGESTONE ACETATE?
You can request a quote for CLOMEGESTONE ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLOMEGESTONE ACETATE?
Yes, KEHONG BIO provides custom synthesis services for CLOMEGESTONE ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.