1-Cinnamylbenzotriazole
TL;DR: 1-Cinnamylbenzotriazole (CAS 171193-30-9) is a chemical compound with molecular formula C15H13N3 and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenylprop-2-enyl)benzotriazole
Also Known As: 1-cinnamylbenzotriazole, 1-(3-phenylprop-2-enyl)benzotriazole
| Molecular Formula | C15H13N3 |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 3.1447 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.11095 |
| Heavy Atoms | 18 |
| Complexity | 668.28125 |
Chemical Identifiers
| CAS Number | 171193-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCN2C3=CC=CC=C3N=N2 |
Product Overview
1-Cinnamylbenzotriazole (CAS 171193-30-9), with molecular formula C15H13N3 and molecular weight 235.11 g/mol. IUPAC: 1-(3-phenylprop-2-enyl)benzotriazole.
Chemical Property Profile of 1-Cinnamylbenzotriazole
Property Insights of 1-Cinnamylbenzotriazole
The XLogP value of 3.1447 indicates that 1-Cinnamylbenzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-Cinnamylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cinnamylbenzotriazole has 0 hydrogen bond donor(s) and 2 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-Cinnamylbenzotriazole?
The CAS number of 1-Cinnamylbenzotriazole is 171193-30-9.
What is the molecular formula of 1-Cinnamylbenzotriazole?
The molecular formula of 1-Cinnamylbenzotriazole is C15H13N3.
What is the molecular weight of 1-Cinnamylbenzotriazole?
The molecular weight of 1-Cinnamylbenzotriazole is 235.11 g/mol.
Where can I buy 1-Cinnamylbenzotriazole?
You can request a quote for 1-Cinnamylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cinnamylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Cinnamylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.