1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea
TL;DR: 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea (CAS 488129-95-9) is a chemical compound with molecular formula C16H10Cl4N4OS and molecular weight 445.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3,4-dichlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(5-(3,4-dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea, 1-[(2Z)-5-(3,4-dichlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dichlorophenyl)urea
| Molecular Formula | C16H10Cl4N4OS |
|---|---|
| Molecular Weight | 445.93 g/mol |
| LogP | 6.3865 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.93295 |
| Heavy Atoms | 26 |
| Complexity | 963.17285 |
Chemical Identifiers
| CAS Number | 488129-95-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl)Cl |
Product Overview
1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea (CAS 488129-95-9), with molecular formula C16H10Cl4N4OS and molecular weight 445.93 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea
Property Insights of 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea
The XLogP value of 6.3865 indicates that 1-(5-(3,4-Dichlorobenzyl)-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-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-(3,4-Dichlorobenzyl)-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-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The CAS number of 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea is 488129-95-9.
What is the molecular formula of 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea is C16H10Cl4N4OS.
What is the molecular weight of 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea is 445.93 g/mol.
Where can I buy 1-(5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1-(5-(3,4-Dichlorobenzyl)-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-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(3,4-Dichlorobenzyl)-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.