7-(Carboxyethylthio)progesterone
TL;DR: 7-(Carboxyethylthio)progesterone (CAS 40845-01-0) is a chemical compound with molecular formula C24H34O4S and molecular weight 418.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(7R,10R,13S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid
Also Known As: 7-(Carboxyethylthio)progesterone, 7alpha-Carboxyethyl-thioether-progesterone, 3-(progesterone-7, A-yl)thiopropionic acid, 3-[(3,20-Dioxopregn-4-en-7-yl)sulfanyl]propanoic acid
| Molecular Formula | C24H34O4S |
|---|---|
| Molecular Weight | 418.22 g/mol |
| LogP | 4.9099 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.21777 |
| Heavy Atoms | 29 |
| Complexity | 757.9796 |
Chemical Identifiers
| CAS Number | 40845-01-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](CC4=CC(=O)CC[C@]34C)SCCC(=O)O)C |
Product Overview
7-(Carboxyethylthio)progesterone (CAS 40845-01-0), with molecular formula C24H34O4S and molecular weight 418.22 g/mol. IUPAC: 3-[[(7R,10R,13S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 7-(Carboxyethylthio)progesterone
Property Insights of 7-(Carboxyethylthio)progesterone
The XLogP value of 4.9099 indicates that 7-(Carboxyethylthio)progesterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Carboxyethylthio)progesterone. Following Lipinski's Rule of Five, 7-(Carboxyethylthio)progesterone 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 7-(Carboxyethylthio)progesterone?
The CAS number of 7-(Carboxyethylthio)progesterone is 40845-01-0.
What is the molecular formula of 7-(Carboxyethylthio)progesterone?
The molecular formula of 7-(Carboxyethylthio)progesterone is C24H34O4S.
What is the molecular weight of 7-(Carboxyethylthio)progesterone?
The molecular weight of 7-(Carboxyethylthio)progesterone is 418.22 g/mol.
Where can I buy 7-(Carboxyethylthio)progesterone?
You can request a quote for 7-(Carboxyethylthio)progesterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Carboxyethylthio)progesterone?
Yes, KEHONG BIO provides custom synthesis services for 7-(Carboxyethylthio)progesterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.