methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate
TL;DR: methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate (CAS 309282-80-2) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetate
Also Known As: methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate, methyl 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetate, AB00091169-01, methylN-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate, A2104/0088421
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 309282-80-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2)C |
| InChIKey | YBJOUTNLDKWAHP-UHFFFAOYSA-N |
Product Overview
methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate (CAS 309282-80-2), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetate.
Chemical Property Profile of methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate
Property Insights of methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate
The XLogP value of 3.3 indicates that methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate. Following Lipinski's Rule of Five, methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate 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-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate?
The CAS number of methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate is 309282-80-2.
What is the molecular formula of methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate?
The molecular formula of methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate is C17H19NO4S.
What is the molecular weight of methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate?
The molecular weight of methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate is 333.10 g/mol.
Where can I buy methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate?
You can request a quote for methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(3,5-dimethylphenyl)-N-(phenylsulfonyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.