N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea
TL;DR: N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea (CAS 96018-24-5) is a chemical compound with molecular formula C13H14FN3OS and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methylurea
Also Known As: N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea, N-Ethyl-N'-[3-(4-fluorophenyl)-5-isothiazolyl]-N-methylurea, Urea, N-ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methyl-, 1-ethyl-3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methyl-urea, 1-ethyl-3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methylurea
| Molecular Formula | C13H14FN3OS |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08417 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 96018-24-5 |
|---|---|
| SMILES | CCN(C)C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)F |
| InChIKey | AAYMZRMPKZAJNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea (CAS 96018-24-5), with molecular formula C13H14FN3OS and molecular weight 279.08 g/mol. IUPAC: 1-ethyl-3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methylurea.
Chemical Property Profile of N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea
Property Insights of N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea. Following Lipinski's Rule of Five, N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea 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 N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea?
The CAS number of N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea is 96018-24-5.
What is the molecular formula of N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea?
The molecular formula of N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea is C13H14FN3OS.
What is the molecular weight of N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea?
The molecular weight of N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea is 279.08 g/mol.
Where can I buy N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea?
You can request a quote for N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.