Exemestane Impurity 31
TL;DR: Exemestane Impurity 31 (CAS 26991-58-2) is a chemical compound with molecular formula C19H26O3 and molecular weight 302.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,6,17-trione
Also Known As: Exemestane Impurity 31, 5beta-Androstane-3,6,17-trione, 5.beta.-Androstane-3,6,17-trione, Androstane-3,6,17-trione, (5.beta.)-, (3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,5,7-trione
| Molecular Formula | C19H26O3 |
|---|---|
| Molecular Weight | 302.19 g/mol |
| LogP | 3.3463 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.1882 |
| Heavy Atoms | 22 |
| Complexity | 565.0276 |
Chemical Identifiers
| CAS Number | 26991-58-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C |
Product Overview
Exemestane Impurity 31 (CAS 26991-58-2), with molecular formula C19H26O3 and molecular weight 302.19 g/mol. IUPAC: (5R,8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,6,17-trione.
Chemical Property Profile of Exemestane Impurity 31
Property Insights of Exemestane Impurity 31
The XLogP value of 3.3463 indicates that Exemestane Impurity 31 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, Exemestane Impurity 31 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Exemestane Impurity 31 has 0 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 Exemestane Impurity 31?
The CAS number of Exemestane Impurity 31 is 26991-58-2.
What is the molecular formula of Exemestane Impurity 31?
The molecular formula of Exemestane Impurity 31 is C19H26O3.
What is the molecular weight of Exemestane Impurity 31?
The molecular weight of Exemestane Impurity 31 is 302.19 g/mol.
Where can I buy Exemestane Impurity 31?
You can request a quote for Exemestane Impurity 31 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exemestane Impurity 31?
Yes, KEHONG BIO provides custom synthesis services for Exemestane Impurity 31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.