17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime
TL;DR: 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime (CAS 33514-81-7) is a chemical compound with molecular formula C24H29N3O6 and molecular weight 455.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,17S)-3-(2,4-dinitrophenoxy)imino-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Also Known As: 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime, ESTR-4-EN-3-ONE, 17-beta-HYDROXY-, O-(2,4-DINITROPHENYL)OXIME, 1,3-Benzenedisulfonic acid,4-formyl-,sodium salt (1:2), (3E,17S)-3-(2,4-dinitrophenoxy)imino-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol, BRN 2196694
| Molecular Formula | C24H29N3O6 |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 5.1714 |
| Topological Polar Surface Area | 128.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.20563 |
| Heavy Atoms | 33 |
| Complexity | 1052.6353 |
Chemical Identifiers
| CAS Number | 33514-81-7 |
|---|---|
| SMILES | CC12CCC3C(C1CC[C@@H]2O)CCC4=C/C(=N/OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])/CCC34 |
Product Overview
17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime (CAS 33514-81-7), with molecular formula C24H29N3O6 and molecular weight 455.21 g/mol. IUPAC: (3E,17S)-3-(2,4-dinitrophenoxy)imino-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime
Property Insights of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime
The XLogP value of 5.1714 indicates that 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime. Following Lipinski's Rule of Five, 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime?
The CAS number of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime is 33514-81-7.
What is the molecular formula of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime?
The molecular formula of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime is C24H29N3O6.
What is the molecular weight of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime?
The molecular weight of 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime is 455.21 g/mol.
Where can I buy 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime?
You can request a quote for 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 17-beta-Hydroxyestr-4-en-3-one O-(2,4-dinitrophenyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.