![ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate structure](/static/products/4256/425606-18-4.webp)
ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate
TL;DR: ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate (CAS 425606-18-4) is a chemical compound with molecular formula C26H28N2O5S and molecular weight 480.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
Also Known As: ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate, ethyl 2-(4-((N-(3,4-dimethylphenyl)methylsulfonamido)methyl)benzamido)benzoate, ETHYL 2-(4-{[N-(3,4-DIMETHYLPHENYL)METHANESULFONAMIDO]METHYL}BENZAMIDO)BENZOATE, ethyl 2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
| Molecular Formula | C26H28N2O5S |
|---|---|
| Molecular Weight | 480.17 g/mol |
| LogP | 4.69864 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.1719 |
| Heavy Atoms | 34 |
| Complexity | 1301.0212 |
Chemical Identifiers
| CAS Number | 425606-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C |
Product Overview
ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate (CAS 425606-18-4), with molecular formula C26H28N2O5S and molecular weight 480.17 g/mol. IUPAC: ethyl 2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate.
Chemical Property Profile of ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate
Property Insights of ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate
The XLogP value of 4.69864 indicates that ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 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 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate?
The CAS number of ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate is 425606-18-4.
What is the molecular formula of ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate?
The molecular formula of ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate is C26H28N2O5S.
What is the molecular weight of ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate?
The molecular weight of ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate is 480.17 g/mol.
Where can I buy ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate?
You can request a quote for ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]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 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}phenyl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.