脱氧皮质酮氮氧化物
TL;DR: 脱氧皮质酮氮氧化物 (CAS 80575-30-0) is a chemical compound with molecular formula C30H43NO5 and molecular weight 497.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱氧皮质酮氮氧化物
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
Also Known As: Deoxycorticosterone nitroxide, Desoxycorticosterone nitroxide, 3,20-dioxopregn-4-en-21-yl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxylate, Pregn-4-ene-3,20-dione, 21-(((2,5-dihydro-2,2,5,5-tetramethyl-1-oxy-1H-pyrrol-3-yl)carbonyl)oxy)-, [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
| Molecular Formula | C30H43NO5 |
|---|---|
| Molecular Weight | 497.31 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.31412 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 80575-30-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)C4=CC(N(C4(C)C)O)(C)C)CCC5=CC(=O)CC[C@]35C |
| InChIKey | UMNIRIWVFVQFDF-RHAVWAHXSA-N |
Product Overview
脱氧皮质酮氮氧化物 (CAS 80575-30-0), with molecular formula C30H43NO5 and molecular weight 497.31 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate.
Chemical Property Profile of 脱氧皮质酮氮氧化物
Property Insights of 脱氧皮质酮氮氧化物
The XLogP value of 3.7 indicates that 脱氧皮质酮氮氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 脱氧皮质酮氮氧化物. Following Lipinski's Rule of Five, 脱氧皮质酮氮氧化物 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 脱氧皮质酮氮氧化物?
The CAS number of 脱氧皮质酮氮氧化物 is 80575-30-0.
What is the molecular formula of 脱氧皮质酮氮氧化物?
The molecular formula of 脱氧皮质酮氮氧化物 is C30H43NO5.
What is the molecular weight of 脱氧皮质酮氮氧化物?
The molecular weight of 脱氧皮质酮氮氧化物 is 497.31 g/mol.
Where can I buy 脱氧皮质酮氮氧化物?
You can request a quote for 脱氧皮质酮氮氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱氧皮质酮氮氧化物?
Yes, KEHONG BIO provides custom synthesis services for 脱氧皮质酮氮氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.