Methyl phenylsulfonyl acetate
TL;DR: Methyl phenylsulfonyl acetate (CAS 34287-99-5) is a chemical compound with molecular formula C9H10O4S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzenesulfonyl)acetate
Also Known As: Methyl phenylsulfonylacetate, methyl 2-(phenylsulfonyl)acetate, methyl 2-(benzenesulfonyl)acetate, Methyl phenylsulfonyl acetate, Methyl benzenesulfonylacetate
| Molecular Formula | C9H10O4S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.02998 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 34287-99-5 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | NLEAIFBNKPYTGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenylsulfonyl acetate (CAS 34287-99-5), with molecular formula C9H10O4S and molecular weight 214.03 g/mol. IUPAC: methyl 2-(benzenesulfonyl)acetate.
Chemical Property Profile of Methyl phenylsulfonyl acetate
Property Insights of Methyl phenylsulfonyl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenylsulfonyl acetate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl phenylsulfonyl acetate. Following Lipinski's Rule of Five, Methyl phenylsulfonyl 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 phenylsulfonyl acetate?
The CAS number of Methyl phenylsulfonyl acetate is 34287-99-5.
What is the molecular formula of Methyl phenylsulfonyl acetate?
The molecular formula of Methyl phenylsulfonyl acetate is C9H10O4S.
What is the molecular weight of Methyl phenylsulfonyl acetate?
The molecular weight of Methyl phenylsulfonyl acetate is 214.03 g/mol.
Where can I buy Methyl phenylsulfonyl acetate?
You can request a quote for Methyl phenylsulfonyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenylsulfonyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenylsulfonyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.