3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯
TL;DR: 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 (CAS 17916-30-2) 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.
3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯
[17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: NCIOpen2_009292, 5-Pregnenolone acetate oxime, BIM-0020323.P001, 3beta-Hydroxypregn-5-en-20-one oxime 3-acetate, Pregn-5-en-20-one, 3beta-hydroxy-, oxime, acetate (ester)
| Molecular Formula | C23H35NO3 |
|---|---|
| Molecular Weight | 373.26 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.2617 |
| Heavy Atoms | 27 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 17916-30-2 |
|---|---|
| SMILES | CC(=NO)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | DGKAJFBWCOTIQA-UHFFFAOYSA-N |
Product Overview
3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 (CAS 17916-30-2), with molecular formula C23H35NO3 and molecular weight 373.26 g/mol. IUPAC: [17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯
Property Insights of 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯
The XLogP value of 5.1 indicates that 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 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 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯?
The CAS number of 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 is 17916-30-2.
What is the molecular formula of 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯?
The molecular formula of 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 is C23H35NO3.
What is the molecular weight of 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯?
The molecular weight of 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 is 373.26 g/mol.
Where can I buy 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯?
You can request a quote for 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3β-羟基孕甾-5-烯-20-酮肟3-乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.