Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester
TL;DR: Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester (CAS 113568-59-5) 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.
2,2-dimethyl-3-(methylsulfanylmethoxy)-3-oxopropanoic acid
Also Known As: 2,2-dimethyl-3-(methylsulfanylmethoxy)-3-oxopropanoate, 2,2-dimethyl-3-(methylsulfanylmethoxy)-3-oxopropanoic acid, Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester, 2,2-Dimethyl-3-[(methylsulfanyl)methoxy]-3-oxopropanoic acid, 2,2-Dimethyl-3-[(methylsulfanyl)methoxy]-3-oxopropanoic acid #
| Molecular Formula | C7H12O4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.04562 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 113568-59-5 |
|---|---|
| SMILES | CC(C)(C(=O)O)C(=O)OCSC |
| InChIKey | HHHAHLLYPCHEKM-UHFFFAOYSA-N |
Product Overview
Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester (CAS 113568-59-5), with molecular formula C7H12O4S and molecular weight 192.05 g/mol. IUPAC: 2,2-dimethyl-3-(methylsulfanylmethoxy)-3-oxopropanoic acid.
Chemical Property Profile of Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester
Property Insights of Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester. Following Lipinski's Rule of Five, Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester has 1 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 Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester?
The CAS number of Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester is 113568-59-5.
What is the molecular formula of Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester?
The molecular formula of Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester is C7H12O4S.
What is the molecular weight of Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester?
The molecular weight of Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester is 192.05 g/mol.
Where can I buy Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester?
You can request a quote for Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2,2-dimethyl-, (methylthio)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.