![Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate structure](/static/products/4254/425416-40-6.webp)
Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate
TL;DR: Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate (CAS 425416-40-6) is a chemical compound with molecular formula C18H19ClN2O6S and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
Also Known As: BAS 02186963, methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate, methyl 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate, methyl 2-(2-(N-(5-chloro-2-methoxyphenyl)methylsulfonamido)acetamido)benzoate, methyl 2-{[N-(5-chloro-2-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
| Molecular Formula | C18H19ClN2O6S |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 2.5399 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.06525 |
| Heavy Atoms | 28 |
| Complexity | 993.3204 |
Chemical Identifiers
| CAS Number | 425416-40-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C |
Product Overview
Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate (CAS 425416-40-6), with molecular formula C18H19ClN2O6S and molecular weight 426.07 g/mol. IUPAC: methyl 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate
Property Insights of Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate
The XLogP value of 2.5399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate has 1 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 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate?
The CAS number of Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate is 425416-40-6.
What is the molecular formula of Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate?
The molecular formula of Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate is C18H19ClN2O6S.
What is the molecular weight of Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate?
The molecular weight of Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate is 426.07 g/mol.
Where can I buy Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate?
You can request a quote for Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate 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(methylsulfonyl)anilino]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[5-chloro-2-methoxy(methylsulfonyl)anilino]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.