1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
TL;DR: 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea (CAS 426243-31-4) is a chemical compound with molecular formula C16H12F2N4OS and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(5-(2-fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 1-(4-fluorophenyl)-3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-[(2E)-5-(2-fluorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-fluorophenyl)urea, Cambridge id 6375699
| Molecular Formula | C16H12F2N4OS |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 4.0511 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.06998 |
| Heavy Atoms | 24 |
| Complexity | 851.2936 |
Chemical Identifiers
| CAS Number | 426243-31-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F)F |
Product Overview
1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea (CAS 426243-31-4), with molecular formula C16H12F2N4OS and molecular weight 346.07 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
Property Insights of 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
The XLogP value of 4.0511 indicates that 1-(5-(2-Fluorobenzyl)-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 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea has 2 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 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The CAS number of 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is 426243-31-4.
What is the molecular formula of 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The molecular formula of 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is C16H12F2N4OS.
What is the molecular weight of 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The molecular weight of 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is 346.07 g/mol.
Where can I buy 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
You can request a quote for 1-(5-(2-Fluorobenzyl)-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-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.