N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine
TL;DR: N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine (CAS 33683-00-0) is a chemical compound with molecular formula C13H9ClN4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine
Also Known As: 1-[amino]-1h-benzotriazole
| Molecular Formula | C13H9ClN4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.05157 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 33683-00-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2N=CC3=CC=C(C=C3)Cl |
| InChIKey | RNTQQFPWOCDZCZ-UHFFFAOYSA-N |
Product Overview
N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine (CAS 33683-00-0), with molecular formula C13H9ClN4 and molecular weight 256.05 g/mol. IUPAC: N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine.
Chemical Property Profile of N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine
Property Insights of N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine
The XLogP value of 3.5 indicates that N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine has 0 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 N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine?
The CAS number of N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine is 33683-00-0.
What is the molecular formula of N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine?
The molecular formula of N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine is C13H9ClN4.
What is the molecular weight of N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine?
The molecular weight of N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine is 256.05 g/mol.
Where can I buy N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine?
You can request a quote for N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(benzotriazol-1-yl)-1-(4-chlorophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.