1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea
TL;DR: 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea (CAS 664316-90-9) is a chemical compound with molecular formula C14H12ClN5O and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea
Also Known As: BAS 06323364, 1-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea, AH-487/41949501, N-(4-chlorophenyl)-N'-(1-methyl-1H-1,2,3-benzotriazol-5-yl)urea, 1-(4-Chloro-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
| Molecular Formula | C14H12ClN5O |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 3.2657 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.07303 |
| Heavy Atoms | 21 |
| Complexity | 796.7345 |
Chemical Identifiers
| CAS Number | 664316-90-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)N=N1 |
Product Overview
1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea (CAS 664316-90-9), with molecular formula C14H12ClN5O and molecular weight 301.07 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea
Property Insights of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea
The XLogP value of 3.2657 indicates that 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The CAS number of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea is 664316-90-9.
What is the molecular formula of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The molecular formula of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea is C14H12ClN5O.
What is the molecular weight of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The molecular weight of 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea is 301.07 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea?
You can request a quote for 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-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-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-(1-methylbenzotriazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.