3-Benzylamino-7-chloro-1,2,4-benzotriazine
TL;DR: 3-Benzylamino-7-chloro-1,2,4-benzotriazine (CAS 40590-77-0) is a chemical compound with molecular formula C14H11ClN4 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-7-chloro-1,2,4-benzotriazin-3-amine
Also Known As: 3-Benzylamino-7-chloro-1,2,4-benzotriazine, N-Benzyl-7-chloro-1,2,4-benzotriazin-3-amine, benzyl-(7-chloro-benzo[e][1,2,4]triazin-3-yl)-amine, N-Benzyl-7-chloro-1,2,4-benzotriazin-3-amine #, N-Benzyl-7-chloro-1,2,4-benzotriazin-3(4H)-imine
| Molecular Formula | C14H11ClN4 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.06723 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 40590-77-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3)Cl)N=N2 |
| InChIKey | AIZHAMIKDJNSCU-UHFFFAOYSA-N |
Product Overview
3-Benzylamino-7-chloro-1,2,4-benzotriazine (CAS 40590-77-0), with molecular formula C14H11ClN4 and molecular weight 270.07 g/mol. IUPAC: N-benzyl-7-chloro-1,2,4-benzotriazin-3-amine.
Chemical Property Profile of 3-Benzylamino-7-chloro-1,2,4-benzotriazine
Property Insights of 3-Benzylamino-7-chloro-1,2,4-benzotriazine
The XLogP value of 3.1 indicates that 3-Benzylamino-7-chloro-1,2,4-benzotriazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, 3-Benzylamino-7-chloro-1,2,4-benzotriazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylamino-7-chloro-1,2,4-benzotriazine has 1 hydrogen bond donor(s) and 4 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-Benzylamino-7-chloro-1,2,4-benzotriazine?
The CAS number of 3-Benzylamino-7-chloro-1,2,4-benzotriazine is 40590-77-0.
What is the molecular formula of 3-Benzylamino-7-chloro-1,2,4-benzotriazine?
The molecular formula of 3-Benzylamino-7-chloro-1,2,4-benzotriazine is C14H11ClN4.
What is the molecular weight of 3-Benzylamino-7-chloro-1,2,4-benzotriazine?
The molecular weight of 3-Benzylamino-7-chloro-1,2,4-benzotriazine is 270.07 g/mol.
Where can I buy 3-Benzylamino-7-chloro-1,2,4-benzotriazine?
You can request a quote for 3-Benzylamino-7-chloro-1,2,4-benzotriazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylamino-7-chloro-1,2,4-benzotriazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylamino-7-chloro-1,2,4-benzotriazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.