1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea (CAS 426239-79-4) is a chemical compound with molecular formula C18H17ClN4O2S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3-chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3-chlorophenyl)-3-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, N-(3-chlorophenyl)-N'-{5-[(2,6-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(3-chlorophenyl)-3-[(2Z)-5-[(2,6-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C18H17ClN4O2S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 5.03134 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.07608 |
| Heavy Atoms | 26 |
| Complexity | 908.8095 |
Chemical Identifiers
| CAS Number | 426239-79-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea (CAS 426239-79-4), with molecular formula C18H17ClN4O2S and molecular weight 388.08 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 5.03134 indicates that 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-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-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea is 426239-79-4.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea is C18H17ClN4O2S.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea is 388.08 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-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-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(5-((2,6-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.