Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester
TL;DR: Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester (CAS 7400-45-5) is a chemical compound with molecular formula C7H12O4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
Also Known As: Dimethyl 3-thiaadipate, Methyl 3-((2-methoxy-2-oxoethyl)thio)propanoate, Articaine impurity 24, Dimethyl-3-thiaadipate, Articaine Impurity 38
| Molecular Formula | C7H12O4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 192.04562 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 7400-45-5 |
|---|---|
| SMILES | COC(=O)CCSCC(=O)OC |
| InChIKey | XNDKLLFGXIEGKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester (CAS 7400-45-5), with molecular formula C7H12O4S and molecular weight 192.05 g/mol. IUPAC: methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester
Property Insights of Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester has 0 hydrogen bond donor(s) and 5 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 Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester?
The CAS number of Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester is 7400-45-5.
What is the molecular formula of Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester?
The molecular formula of Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester is C7H12O4S.
What is the molecular weight of Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester?
The molecular weight of Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester is 192.05 g/mol.
Where can I buy Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester?
You can request a quote for Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.