16-beta-Carboxamide-(17-alpha)-isoprogesterone
TL;DR: 16-beta-Carboxamide-(17-alpha)-isoprogesterone (CAS 1434-68-0) is a chemical compound with molecular formula C22H31NO3 and molecular weight 357.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-16-carboxamide
Also Known As: 16-beta-Carboxamide-(17-alpha)-isoprogesterone, 3,20-Dioxo-17-alpha-pregn-4-ene-16-beta-carboxamide, 3,20-Dioxopregn-4-ene-16-carboximidic acid, 17-alpha-Pregn-4-ene-16-beta-carboxamide, 3,20-dioxo-, (17alpha)-3,20-Dioxopregn-4-ene-16beta-carboxamide
| Molecular Formula | C22H31NO3 |
|---|---|
| Molecular Weight | 357.23 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.2304 |
| Heavy Atoms | 26 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 1434-68-0 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)N |
| InChIKey | PUEBYNKQSZOEQP-GIPCDWCDSA-N |
Product Overview
16-beta-Carboxamide-(17-alpha)-isoprogesterone (CAS 1434-68-0), with molecular formula C22H31NO3 and molecular weight 357.23 g/mol. IUPAC: (8S,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-16-carboxamide.
Chemical Property Profile of 16-beta-Carboxamide-(17-alpha)-isoprogesterone
Property Insights of 16-beta-Carboxamide-(17-alpha)-isoprogesterone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-beta-Carboxamide-(17-alpha)-isoprogesterone. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-beta-Carboxamide-(17-alpha)-isoprogesterone. Following Lipinski's Rule of Five, 16-beta-Carboxamide-(17-alpha)-isoprogesterone has 1 hydrogen bond donor(s) and 3 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-beta-Carboxamide-(17-alpha)-isoprogesterone?
The CAS number of 16-beta-Carboxamide-(17-alpha)-isoprogesterone is 1434-68-0.
What is the molecular formula of 16-beta-Carboxamide-(17-alpha)-isoprogesterone?
The molecular formula of 16-beta-Carboxamide-(17-alpha)-isoprogesterone is C22H31NO3.
What is the molecular weight of 16-beta-Carboxamide-(17-alpha)-isoprogesterone?
The molecular weight of 16-beta-Carboxamide-(17-alpha)-isoprogesterone is 357.23 g/mol.
Where can I buy 16-beta-Carboxamide-(17-alpha)-isoprogesterone?
You can request a quote for 16-beta-Carboxamide-(17-alpha)-isoprogesterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-beta-Carboxamide-(17-alpha)-isoprogesterone?
Yes, KEHONG BIO provides custom synthesis services for 16-beta-Carboxamide-(17-alpha)-isoprogesterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.