Methyl (4-methylbenzene-1-sulfonyl)acetate
TL;DR: Methyl (4-methylbenzene-1-sulfonyl)acetate (CAS 50397-64-3) is a chemical compound with molecular formula C10H12O4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylphenyl)sulfonylacetate
Also Known As: Methyl p-toluenesulfonylacetate, Methyl 2-tosylacetate, METHYL P-TOLUENESULPHONYLACETATE, Methyl (p-tolylsulfonyl)acetate, methyl 2-(4-methylphenyl)sulfonylacetate
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 50397-64-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OC |
| InChIKey | JMUZMDKWJWSBCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (4-methylbenzene-1-sulfonyl)acetate (CAS 50397-64-3), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: methyl 2-(4-methylphenyl)sulfonylacetate.
Chemical Property Profile of Methyl (4-methylbenzene-1-sulfonyl)acetate
Property Insights of Methyl (4-methylbenzene-1-sulfonyl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-methylbenzene-1-sulfonyl)acetate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-methylbenzene-1-sulfonyl)acetate. Following Lipinski's Rule of Five, Methyl (4-methylbenzene-1-sulfonyl)acetate 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 (4-methylbenzene-1-sulfonyl)acetate?
The CAS number of Methyl (4-methylbenzene-1-sulfonyl)acetate is 50397-64-3.
What is the molecular formula of Methyl (4-methylbenzene-1-sulfonyl)acetate?
The molecular formula of Methyl (4-methylbenzene-1-sulfonyl)acetate is C10H12O4S.
What is the molecular weight of Methyl (4-methylbenzene-1-sulfonyl)acetate?
The molecular weight of Methyl (4-methylbenzene-1-sulfonyl)acetate is 228.05 g/mol.
Where can I buy Methyl (4-methylbenzene-1-sulfonyl)acetate?
You can request a quote for Methyl (4-methylbenzene-1-sulfonyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-methylbenzene-1-sulfonyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-methylbenzene-1-sulfonyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.