20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate
TL;DR: 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate (CAS 2174-13-2) is a chemical compound with molecular formula C23H33NO3 and molecular weight 371.25 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-yl] acetate
Also Known As: Pregnenolone-16-ene acetate oxime, 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate, 3beta-Acetoxy-pregna-5,16-diene-20-oxime, (E)-, [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-Hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[A]ph enanthren-3-yl] acetate, [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C23H33NO3 |
|---|---|
| Molecular Weight | 371.25 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.24603 |
| Heavy Atoms | 27 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 2174-13-2 |
|---|---|
| SMILES | CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | OVKSHCIVDWZSJD-UHFFFAOYSA-N |
Product Overview
20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate (CAS 2174-13-2), with molecular formula C23H33NO3 and molecular weight 371.25 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-yl] acetate.
Chemical Property Profile of 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate
Property Insights of 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate
The XLogP value of 4.8 indicates that 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate has 1 hydrogen bond donor(s) and 4 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 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate?
The CAS number of 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate is 2174-13-2.
What is the molecular formula of 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate?
The molecular formula of 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate is C23H33NO3.
What is the molecular weight of 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate?
The molecular weight of 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate is 371.25 g/mol.
Where can I buy 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate?
You can request a quote for 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 20-(Hydroxyimino)pregna-5,16-dien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.