Methyl 3-acetylsulfanyl-2-chloro-propanoate
TL;DR: Methyl 3-acetylsulfanyl-2-chloro-propanoate (CAS 32372-78-4) is a chemical compound with molecular formula C6H9ClO3S and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetylsulfanyl-2-chloropropanoate
Also Known As: methyl 3-acetylsulfanyl-2-chloropropanoate, METHYL 3-(ACETYLSULFANYL)-2-CHLOROPROPANOATE, METHYL 3-ACETYLSULFANYL-2-CHLORO-PROPANOATE, Methyl 3-(acetylthio)-2-chloropropanoate, 2-[3-(3,4-dimethoxyphenyl)-3-oxopropyl]isoindole-1,3-dione
| Molecular Formula | C6H9ClO3S |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.9961 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 32372-78-4 |
|---|---|
| SMILES | CC(=O)SCC(C(=O)OC)Cl |
| InChIKey | RSIHVSLHPYRNDL-UHFFFAOYSA-N |
Product Overview
Methyl 3-acetylsulfanyl-2-chloro-propanoate (CAS 32372-78-4), with molecular formula C6H9ClO3S and molecular weight 196.00 g/mol. IUPAC: methyl 3-acetylsulfanyl-2-chloropropanoate.
Chemical Property Profile of Methyl 3-acetylsulfanyl-2-chloro-propanoate
Property Insights of Methyl 3-acetylsulfanyl-2-chloro-propanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetylsulfanyl-2-chloro-propanoate. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-acetylsulfanyl-2-chloro-propanoate. Following Lipinski's Rule of Five, Methyl 3-acetylsulfanyl-2-chloro-propanoate has 0 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 Methyl 3-acetylsulfanyl-2-chloro-propanoate?
The CAS number of Methyl 3-acetylsulfanyl-2-chloro-propanoate is 32372-78-4.
What is the molecular formula of Methyl 3-acetylsulfanyl-2-chloro-propanoate?
The molecular formula of Methyl 3-acetylsulfanyl-2-chloro-propanoate is C6H9ClO3S.
What is the molecular weight of Methyl 3-acetylsulfanyl-2-chloro-propanoate?
The molecular weight of Methyl 3-acetylsulfanyl-2-chloro-propanoate is 196.00 g/mol.
Where can I buy Methyl 3-acetylsulfanyl-2-chloro-propanoate?
You can request a quote for Methyl 3-acetylsulfanyl-2-chloro-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetylsulfanyl-2-chloro-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetylsulfanyl-2-chloro-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.