N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine
TL;DR: N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine (CAS 413583-34-3) 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.
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetic acid
Also Known As: N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine, 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetic acid, glycine, N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)-, 2-[N-(3,4-dimethylphenyl)benzenesulfonamido]acetic acid, 2-[N-(benzenesulfonyl)-3,4-dimethyl-anilino]acetic acid
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 413583-34-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)C |
| InChIKey | LDNXKDBVEROPBM-UHFFFAOYSA-N |
Product Overview
N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine (CAS 413583-34-3), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetic acid.
Chemical Property Profile of N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine
Property Insights of N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine
The XLogP value of 3.0 indicates that N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine. Following Lipinski's Rule of Five, N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine has 1 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 N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine?
The CAS number of N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine is 413583-34-3.
What is the molecular formula of N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine?
The molecular formula of N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine is C16H17NO4S.
What is the molecular weight of N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine?
The molecular weight of N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine is 319.09 g/mol.
Where can I buy N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine?
You can request a quote for N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.