1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea
TL;DR: 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea (CAS 693798-99-1) is a chemical compound with molecular formula C16H17N5O and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea
Also Known As: 1-(3,4-dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea, 1-(3,4-dimethylphenyl)-3-(1-methyl-1H-benzotriazol-5-yl)urea, N-(3,4-dimethylphenyl)-N'-(1-methyl-1H-1,2,3-benzotriazol-5-yl)urea
| Molecular Formula | C16H17N5O |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 3.22914 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.1433 |
| Heavy Atoms | 22 |
| Complexity | 852.86346 |
Chemical Identifiers
| CAS Number | 693798-99-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(N=N3)C)C |
Product Overview
1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea (CAS 693798-99-1), with molecular formula C16H17N5O and molecular weight 295.14 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea
Property Insights of 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea
The XLogP value of 3.22914 indicates that 1-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The CAS number of 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea is 693798-99-1.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The molecular formula of 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea is C16H17N5O.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The molecular weight of 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea is 295.14 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
You can request a quote for 1-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-3-(1-methylbenzotriazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.