Clascoterone Impurity 1
TL;DR: Clascoterone Impurity 1 (CAS 39833-17-5) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Clascoterone Impurity 1, 21-Hydroxypregna-4,16-diene-3,20-dione, (3aS,3bR,9aR,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, (8R,9S,10R,13S,14S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 3.616 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 657.995 |
Chemical Identifiers
| CAS Number | 39833-17-5 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C(=O)CO)C |
Product Overview
Clascoterone Impurity 1 (CAS 39833-17-5), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: (8R,9S,10R,13S,14S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Clascoterone Impurity 1
Property Insights of Clascoterone Impurity 1
The XLogP value of 3.616 indicates that Clascoterone Impurity 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Clascoterone Impurity 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clascoterone Impurity 1 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 Clascoterone Impurity 1?
The CAS number of Clascoterone Impurity 1 is 39833-17-5.
What is the molecular formula of Clascoterone Impurity 1?
The molecular formula of Clascoterone Impurity 1 is C21H28O3.
What is the molecular weight of Clascoterone Impurity 1?
The molecular weight of Clascoterone Impurity 1 is 328.20 g/mol.
Where can I buy Clascoterone Impurity 1?
You can request a quote for Clascoterone Impurity 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clascoterone Impurity 1?
Yes, KEHONG BIO provides custom synthesis services for Clascoterone Impurity 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.