![1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea structure](/static/products/489/489443-57-4.png)
1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
TL;DR: 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea (CAS 489443-57-4) is a chemical compound with molecular formula C22H16ClFN4OS2 and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Also Known As: 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea, 1-(5-(2-((4-chlorobenzyl)thio)phenyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 1-[(2Z)-5-{2-[(4-chlorobenzyl)sulfanyl]phenyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-fluorophenyl)urea
| Molecular Formula | C22H16ClFN4OS2 |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 6.9339 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.04382 |
| Heavy Atoms | 31 |
| Complexity | 1182.8574 |
Chemical Identifiers
| CAS Number | 489443-57-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F)SCC4=CC=C(C=C4)Cl |
Product Overview
1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea (CAS 489443-57-4), with molecular formula C22H16ClFN4OS2 and molecular weight 470.04 g/mol. IUPAC: 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Property Insights of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
The XLogP value of 6.9339 indicates that 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-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-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
The CAS number of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is 489443-57-4.
What is the molecular formula of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
The molecular formula of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is C22H16ClFN4OS2.
What is the molecular weight of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
The molecular weight of 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is 470.04 g/mol.
Where can I buy 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
You can request a quote for 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-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-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.