17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime
TL;DR: 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime (CAS 64584-52-7) is a chemical compound with molecular formula C27H34N2O4 and molecular weight 450.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Also Known As: 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime, 17-alpha-Pregn-20-yn-3-one, 17-hydroxy-, O-(p-nitrophenyl)oxime
| Molecular Formula | C27H34N2O4 |
|---|---|
| Molecular Weight | 450.25 g/mol |
| LogP | 5.7366 |
| Topological Polar Surface Area | 84.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.25186 |
| Heavy Atoms | 33 |
| Complexity | 1013.9429 |
Chemical Identifiers
| CAS Number | 64584-52-7 |
|---|---|
| SMILES | C[C@]12CC/C(=N/OC3=CC=C(C=C3)[N+](=O)[O-])/C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC5(C#C)O)C |
Product Overview
17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime (CAS 64584-52-7), with molecular formula C27H34N2O4 and molecular weight 450.25 g/mol. IUPAC: (3Z,5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime
Property Insights of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime
The XLogP value of 5.7366 indicates that 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime. Following Lipinski's Rule of Five, 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime?
The CAS number of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime is 64584-52-7.
What is the molecular formula of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime?
The molecular formula of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime is C27H34N2O4.
What is the molecular weight of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime?
The molecular weight of 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime is 450.25 g/mol.
Where can I buy 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime?
You can request a quote for 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-17-alpha-pregn-20-yn-3-one O-(p-nitrophenyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.