Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
TL;DR: Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate (CAS 100627-66-5) is a chemical compound with molecular formula C21H25NO6S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate
Also Known As: Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate, 2-Bromo-4-chloro-6-methylaniline, Methyl 2-[(3-ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoate, 2-((4-(benzyloxy)benzylidene)amino)phenol, 2-[(3-Ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoic acid methyl ester
| Molecular Formula | C21H25NO6S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 419.14026 |
| Heavy Atoms | 29 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 100627-66-5 |
|---|---|
| SMILES | CCOC(=O)CCCN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | MJSQCFDXCIVWRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate (CAS 100627-66-5), with molecular formula C21H25NO6S and molecular weight 419.14 g/mol. IUPAC: methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
Property Insights of Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
The XLogP value of 3.4 indicates that Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate. Following Lipinski's Rule of Five, Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate 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-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate?
The CAS number of Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate is 100627-66-5.
What is the molecular formula of Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate?
The molecular formula of Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate is C21H25NO6S.
What is the molecular weight of Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate?
The molecular weight of Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate is 419.14 g/mol.
Where can I buy Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate?
You can request a quote for Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)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-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.