![Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate structure](/static/products/880/88016-30-2.png)
Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate
TL;DR: Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate (CAS 88016-30-2) is a chemical compound with molecular formula C10H12O5S and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylphenyl)sulfonyloxyacetate
Also Known As: Tosyloxyacetic acid methyl ester, methyl 2-(4-methylphenyl)sulfonyloxyacetate, METHYL 2-[(4-METHYLBENZENESULFONYL)OXY]ACETATE, Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate, J1.553.720E
| Molecular Formula | C10H12O5S |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.04054 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 88016-30-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)OC |
| InChIKey | GKUVOPGVPQSLRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate (CAS 88016-30-2), with molecular formula C10H12O5S and molecular weight 244.04 g/mol. IUPAC: methyl 2-(4-methylphenyl)sulfonyloxyacetate.
Chemical Property Profile of Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate
Property Insights of Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate. Following Lipinski's Rule of Five, Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate 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 Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate?
The CAS number of Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate is 88016-30-2.
What is the molecular formula of Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate?
The molecular formula of Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate is C10H12O5S.
What is the molecular weight of Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate?
The molecular weight of Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate is 244.04 g/mol.
Where can I buy Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate?
You can request a quote for Methyl [(4-methylbenzene-1-sulfonyl)oxy]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)oxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(4-methylbenzene-1-sulfonyl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.