Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate
TL;DR: Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate (CAS 333357-37-2) is a chemical compound with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-(benzenesulfonyl)-3-nitroanilino]acetate
Also Known As: Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate, BAS 00794340, methyl 2-[N-(benzenesulfonyl)-3-nitroanilino]acetate, MethylN-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate, glycine, N-(3-nitrophenyl)-N-(phenylsulfonyl)-, methyl ester
| Molecular Formula | C15H14N2O6S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 1.9631 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.05725 |
| Heavy Atoms | 24 |
| Complexity | 851.27783 |
Chemical Identifiers
| CAS Number | 333357-37-2 |
|---|---|
| SMILES | COC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate (CAS 333357-37-2), with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-3-nitroanilino]acetate.
Chemical Property Profile of Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate
Property Insights of Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate
The XLogP value of 1.9631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate. Following Lipinski's Rule of Five, Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate has 0 hydrogen bond donor(s) and 6 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-nitrophenyl)-N-(phenylsulfonyl)glycinate?
The CAS number of Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate is 333357-37-2.
What is the molecular formula of Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate?
The molecular formula of Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate is C15H14N2O6S.
What is the molecular weight of Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate?
The molecular weight of Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate is 350.06 g/mol.
Where can I buy Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate?
You can request a quote for Methyl N-(3-nitrophenyl)-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-nitrophenyl)-N-(phenylsulfonyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(3-nitrophenyl)-N-(phenylsulfonyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.