11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate
TL;DR: 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate (CAS 23074-99-9) is a chemical compound with molecular formula C24H31NO7 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-10,13-dimethyl-11-nitrooxy-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate
Also Known As: 11-(nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate, (17-acetyl-10,13-dimethyl-11-nitrooxy-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate, 11, A,17-dihydroxypregna-1,4-diene-3,20-dione 11-nitrate 17-propionate, 11beta,17-Dihydroxypregna-1,4-diene-3,20-dione 11-nitrate 17-propionate
| Molecular Formula | C24H31NO7 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.21005 |
| Heavy Atoms | 32 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 23074-99-9 |
|---|---|
| SMILES | CCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O[N+](=O)[O-])C)C(=O)C |
| InChIKey | AKRDEILXKSRTAT-UHFFFAOYSA-N |
Product Overview
11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate (CAS 23074-99-9), with molecular formula C24H31NO7 and molecular weight 445.21 g/mol. IUPAC: (17-acetyl-10,13-dimethyl-11-nitrooxy-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate.
Chemical Property Profile of 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate
Property Insights of 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate
The XLogP value of 4.5 indicates that 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate. Following Lipinski's Rule of Five, 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate has 0 hydrogen bond donor(s) and 7 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 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate?
The CAS number of 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate is 23074-99-9.
What is the molecular formula of 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate?
The molecular formula of 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate is C24H31NO7.
What is the molecular weight of 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate?
The molecular weight of 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate is 445.21 g/mol.
Where can I buy 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate?
You can request a quote for 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.