Cismadinone acetate
TL;DR: Cismadinone acetate (CAS 151-69-9) is a chemical compound with molecular formula C23H29ClO4 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Cismadinone acetate, [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate, 6-alpha-Chloro-delta(sup 1)-dehydro-17-alpha-acetoxyprogesterone, 6alpha-Chloro-1,2-didehydro-17-acetoxyprogesterone, Pregna-1,4-diene-3,20-dione, 6-alpha-chloro-17-alpha-hydroxy-, acetate (ester)
| Molecular Formula | C23H29ClO4 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.17545 |
| Heavy Atoms | 28 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 151-69-9 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C |
| InChIKey | AQDNTKZTMCWYDA-WXLIAARGSA-N |
Product Overview
Cismadinone acetate (CAS 151-69-9), with molecular formula C23H29ClO4 and molecular weight 404.18 g/mol. IUPAC: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Cismadinone acetate
Property Insights of Cismadinone acetate
The XLogP value of 3.6 indicates that Cismadinone 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 Cismadinone acetate. Following Lipinski's Rule of Five, Cismadinone 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 Cismadinone acetate?
The CAS number of Cismadinone acetate is 151-69-9.
What is the molecular formula of Cismadinone acetate?
The molecular formula of Cismadinone acetate is C23H29ClO4.
What is the molecular weight of Cismadinone acetate?
The molecular weight of Cismadinone acetate is 404.18 g/mol.
Where can I buy Cismadinone acetate?
You can request a quote for Cismadinone acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cismadinone acetate?
Yes, KEHONG BIO provides custom synthesis services for Cismadinone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.