3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime
TL;DR: 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime (CAS 28444-84-0) is a chemical compound with molecular formula C22H34N2O2 and molecular weight 358.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(2S)-2-[(3E,8S,9S,10R,13S,14S,17R)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propylidene]hydroxylamine
Also Known As: 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime, (NE)-N-[(2S)-2-[(3E,8S,9S,10R,13S,14S,17R)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propylidene]hydroxylamine
| Molecular Formula | C22H34N2O2 |
|---|---|
| Molecular Weight | 358.26 g/mol |
| LogP | 5.4917 |
| Topological Polar Surface Area | 65.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.26202 |
| Heavy Atoms | 26 |
| Complexity | 654.5277 |
Chemical Identifiers
| CAS Number | 28444-84-0 |
|---|---|
| SMILES | C[C@H](/C=N/O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/O)/CC[C@]34C)C |
Product Overview
3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime (CAS 28444-84-0), with molecular formula C22H34N2O2 and molecular weight 358.26 g/mol. IUPAC: (NE)-N-[(2S)-2-[(3E,8S,9S,10R,13S,14S,17R)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propylidene]hydroxylamine.
Chemical Property Profile of 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime
Property Insights of 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime
The XLogP value of 5.4917 indicates that 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime. Following Lipinski's Rule of Five, 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime has 2 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 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime?
The CAS number of 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime is 28444-84-0.
What is the molecular formula of 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime?
The molecular formula of 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime is C22H34N2O2.
What is the molecular weight of 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime?
The molecular weight of 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime is 358.26 g/mol.
Where can I buy 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime?
You can request a quote for 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-pregn-4-ene-20beta-carboxaldehyde dioxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.