16-carbamoyl-20-oxopregn-5-en-3-yl acetate
TL;DR: 16-carbamoyl-20-oxopregn-5-en-3-yl acetate (CAS 1922-36-7) is a chemical compound with molecular formula C24H35NO4 and molecular weight 401.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-16-carbamoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 16-carbamoyl-20-oxopregn-5-en-3-yl acetate, 3-(Acetyloxy)-20-oxopregn-5-ene-16-carboximidic acid, (17-acetyl-16-carbamoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate, 3beta-Hydroxy-20-oxo-17alpha-pregn-5-ene-16beta-carboxamide acetate
| Molecular Formula | C24H35NO4 |
|---|---|
| Molecular Weight | 401.26 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.25662 |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 1922-36-7 |
|---|---|
| SMILES | CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=O)N |
| InChIKey | PMNLKTAHODQOPP-UHFFFAOYSA-N |
Product Overview
16-carbamoyl-20-oxopregn-5-en-3-yl acetate (CAS 1922-36-7), with molecular formula C24H35NO4 and molecular weight 401.26 g/mol. IUPAC: (17-acetyl-16-carbamoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of 16-carbamoyl-20-oxopregn-5-en-3-yl acetate
Property Insights of 16-carbamoyl-20-oxopregn-5-en-3-yl acetate
The XLogP value of 3.0 indicates that 16-carbamoyl-20-oxopregn-5-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-carbamoyl-20-oxopregn-5-en-3-yl acetate. Following Lipinski's Rule of Five, 16-carbamoyl-20-oxopregn-5-en-3-yl acetate has 1 hydrogen bond donor(s) and 4 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 16-carbamoyl-20-oxopregn-5-en-3-yl acetate?
The CAS number of 16-carbamoyl-20-oxopregn-5-en-3-yl acetate is 1922-36-7.
What is the molecular formula of 16-carbamoyl-20-oxopregn-5-en-3-yl acetate?
The molecular formula of 16-carbamoyl-20-oxopregn-5-en-3-yl acetate is C24H35NO4.
What is the molecular weight of 16-carbamoyl-20-oxopregn-5-en-3-yl acetate?
The molecular weight of 16-carbamoyl-20-oxopregn-5-en-3-yl acetate is 401.26 g/mol.
Where can I buy 16-carbamoyl-20-oxopregn-5-en-3-yl acetate?
You can request a quote for 16-carbamoyl-20-oxopregn-5-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-carbamoyl-20-oxopregn-5-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 16-carbamoyl-20-oxopregn-5-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.