1-苄基-1,2,3-三唑
TL;DR: 1-苄基-1,2,3-三唑 (CAS 4368-68-7) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苄基-1,2,3-三唑
1-benzyltriazole
Also Known As: 1-Benzyl-1H-1,2,3-triazole, 1-benzyltriazole, 1-Benzyl-1,2,3-triazole, n-benzyltriazole, 1H-1,2,3-Triazole,1-(phenylmethyl)-
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 4368-68-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CN=N2 |
| InChIKey | VRDSRXVCRBMZOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苄基-1,2,3-三唑 (CAS 4368-68-7), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 1-benzyltriazole.
Chemical Property Profile of 1-苄基-1,2,3-三唑
Property Insights of 1-苄基-1,2,3-三唑
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-苄基-1,2,3-三唑. With a topological polar surface area (TPSA) of 30.7 Ų, 1-苄基-1,2,3-三唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苄基-1,2,3-三唑 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-苄基-1,2,3-三唑?
The CAS number of 1-苄基-1,2,3-三唑 is 4368-68-7.
What is the molecular formula of 1-苄基-1,2,3-三唑?
The molecular formula of 1-苄基-1,2,3-三唑 is C9H9N3.
What is the molecular weight of 1-苄基-1,2,3-三唑?
The molecular weight of 1-苄基-1,2,3-三唑 is 159.08 g/mol.
Where can I buy 1-苄基-1,2,3-三唑?
You can request a quote for 1-苄基-1,2,3-三唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苄基-1,2,3-三唑?
Yes, KEHONG BIO provides custom synthesis services for 1-苄基-1,2,3-三唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.