(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline
TL;DR: (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline (CAS 64805-62-5) is a chemical compound with molecular formula C11H17NO4S and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid
Also Known As: 1-DOCOSANOL, TimTec1_004076, N-(4-Chlorobenzyl)-1-propanamine, (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline, 1-[3-(acetylsulfanyl)-2-methylpropanoyl]proline
| Molecular Formula | C11H17NO4S |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 0.9778 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.08783 |
| Heavy Atoms | 17 |
| Complexity | 331.4331 |
Chemical Identifiers
| CAS Number | 64805-62-5 |
|---|---|
| SMILES | CC(CSC(=O)C)C(=O)N1CCCC1C(=O)O |
Product Overview
(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline (CAS 64805-62-5), with molecular formula C11H17NO4S and molecular weight 259.09 g/mol. IUPAC: 1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline
Property Insights of (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline
The XLogP value of 0.9778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline. Following Lipinski's Rule of Five, (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline 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 (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline?
The CAS number of (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline is 64805-62-5.
What is the molecular formula of (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline?
The molecular formula of (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline is C11H17NO4S.
What is the molecular weight of (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline?
The molecular weight of (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline is 259.09 g/mol.
Where can I buy (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline?
You can request a quote for (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline?
Yes, KEHONG BIO provides custom synthesis services for (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.