![1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea structure](/static/products/497/497867-69-3.png)
1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea
TL;DR: 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea (CAS 497867-69-3) is a chemical compound with molecular formula C24H21FN4OS2 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea, 1-(3,4-dimethylphenyl)-3-(5-(2-((2-fluorobenzyl)thio)phenyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3,4-dimethylphenyl)-3-[(2Z)-5-{2-[(2-fluorobenzyl)sulfanyl]phenyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C24H21FN4OS2 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 6.89734 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.11407 |
| Heavy Atoms | 32 |
| Complexity | 1258.2451 |
Chemical Identifiers
| CAS Number | 497867-69-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3SCC4=CC=CC=C4F)C |
Product Overview
1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea (CAS 497867-69-3), with molecular formula C24H21FN4OS2 and molecular weight 464.11 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea
Property Insights of 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea
The XLogP value of 6.89734 indicates that 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]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-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea. Following Lipinski's Rule of Five, 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]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-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea?
The CAS number of 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea is 497867-69-3.
What is the molecular formula of 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea?
The molecular formula of 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea is C24H21FN4OS2.
What is the molecular weight of 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea?
The molecular weight of 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea is 464.11 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea?
You can request a quote for 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethylphenyl)-3-[5-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.