methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate
TL;DR: methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate (CAS 4314-08-3) is a chemical compound with molecular formula C17H17ClN2O7S and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate
Also Known As: BAS 01980767, BIM-0029782.P001, methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate, Methyl N-(5-chloro-2-methoxyphenyl)-N-(4-methyl-3-nitrobenzene-1-sulfonyl)glycinate, methyl N-(5-chloro-2-methoxyphenyl)-N-[(4-methyl-3-nitrophenyl)sulfonyl]glycinate
| Molecular Formula | C17H17ClN2O7S |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 2.93352 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.0445 |
| Heavy Atoms | 28 |
| Complexity | 1024.1611 |
Chemical Identifiers
| CAS Number | 4314-08-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-] |
Product Overview
methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate (CAS 4314-08-3), with molecular formula C17H17ClN2O7S and molecular weight 428.04 g/mol. IUPAC: methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate.
Chemical Property Profile of methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate
Property Insights of methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate
The XLogP value of 2.93352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate. Following Lipinski's Rule of Five, methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate has 0 hydrogen bond donor(s) and 7 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 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate?
The CAS number of methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate is 4314-08-3.
What is the molecular formula of methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate?
The molecular formula of methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate is C17H17ClN2O7S.
What is the molecular weight of methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate?
The molecular weight of methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate is 428.04 g/mol.
Where can I buy methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate?
You can request a quote for methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.