4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester
TL;DR: 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester (CAS 85844-72-0) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methylphenyl)sulfonylamino]butanoate
Also Known As: Ethyl 4-[(4-methylphenyl)sulfonylamino]butanoate, 4-(TOLUENE-4-SULFONYLAMINO)-BUTYRIC ACID ETHYL ESTER
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 1.61662 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 507.94968 |
Chemical Identifiers
| CAS Number | 85844-72-0 |
|---|---|
| SMILES | CCOC(=O)CCCNS(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester (CAS 85844-72-0), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: ethyl 4-[(4-methylphenyl)sulfonylamino]butanoate.
Chemical Property Profile of 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester
Property Insights of 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester
The XLogP value of 1.61662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester. Following Lipinski's Rule of Five, 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester has 1 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 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester?
The CAS number of 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester is 85844-72-0.
What is the molecular formula of 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester?
The molecular formula of 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester is C13H19NO4S.
What is the molecular weight of 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester?
The molecular weight of 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester is 285.10 g/mol.
Where can I buy 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester?
You can request a quote for 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(Toluene-4-sulfonylamino)-butyric acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.