![Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate structure](/static/products/944/94460-98-7.png)
Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate
TL;DR: Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate (CAS 94460-98-7) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(N-(4-methylphenyl)sulfonylanilino)acetate
Also Known As: ChemDiv3_002669, Methyl N-phenyl-N-tosylglycinate, Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate, BAS 00680283, methyl 2-[N-(p-tolylsulfonyl)anilino]acetate
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 94460-98-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=CC=CC=C2 |
| InChIKey | MHJLWQJCHUYYHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate (CAS 94460-98-7), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: methyl 2-(N-(4-methylphenyl)sulfonylanilino)acetate.
Chemical Property Profile of Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate
Property Insights of Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate. Following Lipinski's Rule of Five, Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate 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 N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate?
The CAS number of Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate is 94460-98-7.
What is the molecular formula of Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate?
The molecular formula of Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate is C16H17NO4S.
What is the molecular weight of Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate?
The molecular weight of Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate is 319.09 g/mol.
Where can I buy Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate?
You can request a quote for Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-[(4-methylphenyl)sulfonyl]-N-phenylglycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.