N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline
TL;DR: N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline (CAS 401467-25-2) is a chemical compound with molecular formula C13H10Cl2N4 and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-3,5-dichloroaniline
Also Known As: N-(benzotriazol-1-ylmethyl)-3,5-dichloroaniline, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline, N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3,5-dichloroaniline, 12W-0912
| Molecular Formula | C13H10Cl2N4 |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 3.8077 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.02826 |
| Heavy Atoms | 19 |
| Complexity | 703.24 |
Chemical Identifiers
| CAS Number | 401467-25-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC(=C3)Cl)Cl |
Product Overview
N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline (CAS 401467-25-2), with molecular formula C13H10Cl2N4 and molecular weight 292.03 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-3,5-dichloroaniline.
Chemical Property Profile of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline
Property Insights of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline
The XLogP value of 3.8077 indicates that N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline 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-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline?
The CAS number of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline is 401467-25-2.
What is the molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline?
The molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline is C13H10Cl2N4.
What is the molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline?
The molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline is 292.03 g/mol.
Where can I buy N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline?
You can request a quote for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-dichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.