![Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate structure](/static/products/3333/333357-36-1.webp)
Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate
TL;DR: Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate (CAS 333357-36-1) 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.
methyl 4-[(N-methylsulfonylanilino)methyl]benzoate
Also Known As: Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate, Methyl 4-{[(methylsulfonyl)(phenyl)amino]methyl}benzoate, methyl 4-[(N-methylsulfonylanilino)methyl]benzoate, Methyl 4-((N-phenylmethylsulfonamido)methyl)benzoate, Methyl 4-[(methylsulfonyl-phenyl-amino)methyl]benzoate
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.4394 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 739.4751 |
Chemical Identifiers
| CAS Number | 333357-36-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C |
Product Overview
Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate (CAS 333357-36-1), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: methyl 4-[(N-methylsulfonylanilino)methyl]benzoate.
Chemical Property Profile of Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate
Property Insights of Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate
The XLogP value of 2.4394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate has 0 hydrogen bond donor(s) and 4 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 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate?
The CAS number of Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate is 333357-36-1.
What is the molecular formula of Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate?
The molecular formula of Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate is C16H17NO4S.
What is the molecular weight of Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate?
The molecular weight of Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate is 319.09 g/mol.
Where can I buy Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate?
You can request a quote for Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-([(methylsulfonyl)(phenyl)amino]methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.