16-Dehydropregnenolone
TL;DR: 16-Dehydropregnenolone (CAS 1162-53-4) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 16-Dehydropregnenolone, 16-Dehydropregnolone, Pregnadienolone, delta16-Pregnenolone, (-)-Pregnadienolone
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 1162-53-4 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | YLFRRPUBVUAHSR-RRPFGEQOSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16-Dehydropregnenolone (CAS 1162-53-4), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: 1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 16-Dehydropregnenolone
Property Insights of 16-Dehydropregnenolone
The XLogP value of 3.9 indicates that 16-Dehydropregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 16-Dehydropregnenolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Dehydropregnenolone has 1 hydrogen bond donor(s) and 2 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 16-Dehydropregnenolone?
The CAS number of 16-Dehydropregnenolone is 1162-53-4.
What is the molecular formula of 16-Dehydropregnenolone?
The molecular formula of 16-Dehydropregnenolone is C21H30O2.
What is the molecular weight of 16-Dehydropregnenolone?
The molecular weight of 16-Dehydropregnenolone is 314.22 g/mol.
Where can I buy 16-Dehydropregnenolone?
You can request a quote for 16-Dehydropregnenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Dehydropregnenolone?
Yes, KEHONG BIO provides custom synthesis services for 16-Dehydropregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.