Cismadinone
TL;DR: Cismadinone (CAS 6161-49-5) is a chemical compound with molecular formula C21H27ClO3 and molecular weight 362.16 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-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: Cismadinone, Cismadinona, Cismadinonum, Cismadinone [INN], 6alpha-Chloro-17-hydroxypregna-1,4-diene-3,20-dione
| Molecular Formula | C21H27ClO3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.1649 |
| Heavy Atoms | 25 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 6161-49-5 |
|---|---|
| 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)O |
| InChIKey | RNSISAJHBSCDGC-SCUQKFFVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cismadinone (CAS 6161-49-5), with molecular formula C21H27ClO3 and molecular weight 362.16 g/mol. IUPAC: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Cismadinone
Property Insights of Cismadinone
The XLogP value of 3.4 indicates that Cismadinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Cismadinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cismadinone has 1 hydrogen bond donor(s) and 3 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?
The CAS number of Cismadinone is 6161-49-5.
What is the molecular formula of Cismadinone?
The molecular formula of Cismadinone is C21H27ClO3.
What is the molecular weight of Cismadinone?
The molecular weight of Cismadinone is 362.16 g/mol.
Where can I buy Cismadinone?
You can request a quote for Cismadinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cismadinone?
Yes, KEHONG BIO provides custom synthesis services for Cismadinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.