16-Dehydropregnenolone oxime
TL;DR: 16-Dehydropregnenolone oxime (CAS 1045-71-2) is a chemical compound with molecular formula C21H31NO2 and molecular weight 329.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 16-Dehydropregnenolone oxime, 5,16-Pregnenolone oxime, 16-Dehydropregnenolone oxime, D5125_SIGMA, 5,16-Pregnadien-3, A-ol-20-one oxime, 5,16-Pregnadien-3beta-ol-20-one oxime, 3, A-Hydroxy-5,16-pregnadien-20-one oxime, 3beta-Hydroxy-5,16-pregnadien-20-one oxime, 1045-71-2
| Molecular Formula | C21H31NO2 |
|---|---|
| Molecular Weight | 329.24 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.23547 |
| Heavy Atoms | 24 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 1045-71-2 |
|---|---|
| SMILES | CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| InChIKey | PUAYLIXQYVQBPE-UHFFFAOYSA-N |
Product Overview
16-Dehydropregnenolone oxime (CAS 1045-71-2), with molecular formula C21H31NO2 and molecular weight 329.24 g/mol. IUPAC: 17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 16-Dehydropregnenolone oxime
Property Insights of 16-Dehydropregnenolone oxime
The XLogP value of 4.2 indicates that 16-Dehydropregnenolone oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, 16-Dehydropregnenolone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Dehydropregnenolone oxime has 2 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 16-Dehydropregnenolone oxime?
The CAS number of 16-Dehydropregnenolone oxime is 1045-71-2.
What is the molecular formula of 16-Dehydropregnenolone oxime?
The molecular formula of 16-Dehydropregnenolone oxime is C21H31NO2.
What is the molecular weight of 16-Dehydropregnenolone oxime?
The molecular weight of 16-Dehydropregnenolone oxime is 329.24 g/mol.
Where can I buy 16-Dehydropregnenolone oxime?
You can request a quote for 16-Dehydropregnenolone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Dehydropregnenolone oxime?
Yes, KEHONG BIO provides custom synthesis services for 16-Dehydropregnenolone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.