![Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate structure](/static/products/5285/528573-97-9.webp)
Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate
TL;DR: Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate (CAS 528573-97-9) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoate
Also Known As: ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate, ethyl 4-(N-(4-methylbenzyl)methylsulfonamido)benzoate, ethyl 4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoate
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.13792 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 795.91736 |
Chemical Identifiers
| CAS Number | 528573-97-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C)S(=O)(=O)C |
Product Overview
Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate (CAS 528573-97-9), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: ethyl 4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate
Property Insights of Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate
The XLogP value of 3.13792 indicates that Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]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 Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate?
The CAS number of Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate is 528573-97-9.
What is the molecular formula of Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate?
The molecular formula of Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate is C18H21NO4S.
What is the molecular weight of Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate?
The molecular weight of Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate is 347.12 g/mol.
Where can I buy Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate?
You can request a quote for Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-methylbenzyl)(methylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.