methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate
TL;DR: methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate (CAS 532417-56-4) is a chemical compound with molecular formula C10H12N2O6S and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(N-methylsulfonyl-3-nitroanilino)acetate
Also Known As: methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate, methyl 2-(N-methylsulfonyl-3-nitroanilino)acetate, methyl 2-(N-methylsulfonyl-3-nitro-anilino)acetate, methylN-(methylsulfonyl)-N-(3-nitrophenyl)glycinate, glycine, N-(methylsulfonyl)-N-(3-nitrophenyl)-, methyl ester
| Molecular Formula | C10H12N2O6S |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 0.5338 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.0416 |
| Heavy Atoms | 19 |
| Complexity | 597.79236 |
Chemical Identifiers
| CAS Number | 532417-56-4 |
|---|---|
| SMILES | COC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C |
Product Overview
methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate (CAS 532417-56-4), with molecular formula C10H12N2O6S and molecular weight 288.04 g/mol. IUPAC: methyl 2-(N-methylsulfonyl-3-nitroanilino)acetate.
Chemical Property Profile of methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate
Property Insights of methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate
The XLogP value of 0.5338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate. Following Lipinski's Rule of Five, methyl N-(methylsulfonyl)-N-(3-nitrophenyl)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-(methylsulfonyl)-N-(3-nitrophenyl)glycinate?
The CAS number of methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate is 532417-56-4.
What is the molecular formula of methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate?
The molecular formula of methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate is C10H12N2O6S.
What is the molecular weight of methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate?
The molecular weight of methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate is 288.04 g/mol.
Where can I buy methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate?
You can request a quote for methyl N-(methylsulfonyl)-N-(3-nitrophenyl)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-(methylsulfonyl)-N-(3-nitrophenyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(methylsulfonyl)-N-(3-nitrophenyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.