3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea
TL;DR: 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea (CAS 6171-02-4) is a chemical compound with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N'-butyl-N-(4-methylphenyl)sulfonylcarbamimidate
Also Known As: Buetts-pseudourea, 3-butyl-2-ethyl-1- pseudourea, 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea, ethyl N'-butyl-N-(4-methylphenyl)sulfonylcarbamimidate, Carbamimidic acid, N-butyl-N'-((4-methylphenyl)sulfonyl)-, ethyl ester
| Molecular Formula | C14H22N2O3S |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.1351 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 6171-02-4 |
|---|---|
| SMILES | CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)C)OCC |
| InChIKey | VFNXGUBMHYXORY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea (CAS 6171-02-4), with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol. IUPAC: ethyl N'-butyl-N-(4-methylphenyl)sulfonylcarbamimidate.
Chemical Property Profile of 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea
Property Insights of 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea
The XLogP value of 3.2 indicates that 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea. Following Lipinski's Rule of Five, 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea 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 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea?
The CAS number of 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea is 6171-02-4.
What is the molecular formula of 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea?
The molecular formula of 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea is C14H22N2O3S.
What is the molecular weight of 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea?
The molecular weight of 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea is 298.14 g/mol.
Where can I buy 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea?
You can request a quote for 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-2-ethyl-1-(4-tolylsulfonyl)pseudourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.