N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline
TL;DR: N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline (CAS 62001-30-3) is a chemical compound with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-2-chloroaniline
Also Known As: N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline, BAS 00263160, (benzotriazolylmethyl)(2-chlorophenyl)amine, N-(benzotriazol-1-ylmethyl)-2-chloroaniline, Benzotriazol-1-ylmethyl-(2-chloro-phenyl)-amine
| Molecular Formula | C13H11ClN4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06723 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 62001-30-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=CC=CC=C3Cl |
| InChIKey | TYMCWBNPKBRJMY-UHFFFAOYSA-N |
Product Overview
N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline (CAS 62001-30-3), with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-2-chloroaniline.
Chemical Property Profile of N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline
Property Insights of N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline
The XLogP value of 3.6 indicates that N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline 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 N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline?
The CAS number of N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline is 62001-30-3.
What is the molecular formula of N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline?
The molecular formula of N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline is C13H11ClN4.
What is the molecular weight of N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline?
The molecular weight of N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline is 258.07 g/mol.
Where can I buy N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline?
You can request a quote for N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-benzotriazol-1-ylmethyl)-2-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.