1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea
TL;DR: 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea (CAS 117221-99-5) is a chemical compound with molecular formula C15H9Cl3N4OS and molecular weight 397.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea
Also Known As: 1-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea, 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea, 1-[(2Z)-5-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dichlorophenyl)urea
| Molecular Formula | C15H9Cl3N4OS |
|---|---|
| Molecular Weight | 397.96 g/mol |
| LogP | 5.8093 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.95627 |
| Heavy Atoms | 24 |
| Complexity | 882.6806 |
Chemical Identifiers
| CAS Number | 117221-99-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl |
Product Overview
1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea (CAS 117221-99-5), with molecular formula C15H9Cl3N4OS and molecular weight 397.96 g/mol. IUPAC: 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea
Property Insights of 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea
The XLogP value of 5.8093 indicates that 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)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-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea has 2 hydrogen bond donor(s) and 4 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-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The CAS number of 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea is 117221-99-5.
What is the molecular formula of 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea is C15H9Cl3N4OS.
What is the molecular weight of 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea is 397.96 g/mol.
Where can I buy 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)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-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.