3-Benzyl-1,2,3-benzotriazin-4(3H)-imine
TL;DR: 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine (CAS 97729-49-2) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,2,3-benzotriazin-4-imine
Also Known As: 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine, 3-benzyl-1,2,3-benzotriazin-4-imine, (4z)-3-benzyl-1,2,3-benzotriazin-4(3h)-imine, 1,2,3-Benzotriazin-4(3H)-imine, 3-(phenylmethyl)-, 3-(PHENYLMETHYL)-1,2,3-BENZOTRIAZIN-4(3H)-IMINE
| Molecular Formula | C14H12N4 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.1062 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 97729-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=N)C3=CC=CC=C3N=N2 |
| InChIKey | ZAYTWEOAKIBPKR-UHFFFAOYSA-N |
Product Overview
3-Benzyl-1,2,3-benzotriazin-4(3H)-imine (CAS 97729-49-2), with molecular formula C14H12N4 and molecular weight 236.11 g/mol. IUPAC: 3-benzyl-1,2,3-benzotriazin-4-imine.
Chemical Property Profile of 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine
Property Insights of 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine
The XLogP value of 3.2 indicates that 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine has 1 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 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine?
The CAS number of 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine is 97729-49-2.
What is the molecular formula of 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine?
The molecular formula of 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine is C14H12N4.
What is the molecular weight of 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine?
The molecular weight of 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine is 236.11 g/mol.
Where can I buy 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine?
You can request a quote for 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1,2,3-benzotriazin-4(3H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.