20-(Hydroxyimino)pregn-16-en-3-yl acetate
TL;DR: 20-(Hydroxyimino)pregn-16-en-3-yl acetate (CAS 101033-92-5) is a chemical compound with molecular formula C23H35NO3 and molecular weight 373.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 20-(hydroxyimino)pregn-16-en-3-yl acetate, A-acetoxy-20-hydroximino-5, A-pregn-16-en-20-one, [17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, Acetic acid (3S,5S,8R,9S,10S,13S,14S)-17-{1-[(E)-hydroxyimino]-ethyl}-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
| Molecular Formula | C23H35NO3 |
|---|---|
| Molecular Weight | 373.26 g/mol |
| LogP | 5.3472 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.2617 |
| Heavy Atoms | 27 |
| Complexity | 683.11096 |
Chemical Identifiers
| CAS Number | 101033-92-5 |
|---|---|
| SMILES | C/C(=N\O)/C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
Product Overview
20-(Hydroxyimino)pregn-16-en-3-yl acetate (CAS 101033-92-5), with molecular formula C23H35NO3 and molecular weight 373.26 g/mol. IUPAC: [17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 20-(Hydroxyimino)pregn-16-en-3-yl acetate
Property Insights of 20-(Hydroxyimino)pregn-16-en-3-yl acetate
The XLogP value of 5.3472 indicates that 20-(Hydroxyimino)pregn-16-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, 20-(Hydroxyimino)pregn-16-en-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-(Hydroxyimino)pregn-16-en-3-yl acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-(Hydroxyimino)pregn-16-en-3-yl acetate?
The CAS number of 20-(Hydroxyimino)pregn-16-en-3-yl acetate is 101033-92-5.
What is the molecular formula of 20-(Hydroxyimino)pregn-16-en-3-yl acetate?
The molecular formula of 20-(Hydroxyimino)pregn-16-en-3-yl acetate is C23H35NO3.
What is the molecular weight of 20-(Hydroxyimino)pregn-16-en-3-yl acetate?
The molecular weight of 20-(Hydroxyimino)pregn-16-en-3-yl acetate is 373.26 g/mol.
Where can I buy 20-(Hydroxyimino)pregn-16-en-3-yl acetate?
You can request a quote for 20-(Hydroxyimino)pregn-16-en-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)pregn-16-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 20-(Hydroxyimino)pregn-16-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.