![1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea structure](/static/products/4262/426239-76-1.webp)
1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
TL;DR: 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea (CAS 426239-76-1) is a chemical compound with molecular formula C17H14ClFN4O2S and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Also Known As: 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea, 1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea, 1-(5-((4-chloro-3-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 1-[(2E)-5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-fluorophenyl)urea
| Molecular Formula | C17H14ClFN4O2S |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 4.86202 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.051 |
| Heavy Atoms | 26 |
| Complexity | 917.3813 |
Chemical Identifiers
| CAS Number | 426239-76-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F)Cl |
Product Overview
1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea (CAS 426239-76-1), with molecular formula C17H14ClFN4O2S and molecular weight 392.05 g/mol. IUPAC: 1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
Property Insights of 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
The XLogP value of 4.86202 indicates that 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea has 2 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 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The CAS number of 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is 426239-76-1.
What is the molecular formula of 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The molecular formula of 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is C17H14ClFN4O2S.
What is the molecular weight of 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The molecular weight of 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is 392.05 g/mol.
Where can I buy 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
You can request a quote for 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.