N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline
TL;DR: N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline (CAS 401936-19-4) is a chemical compound with molecular formula C13H10ClN5O2 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline
Also Known As: N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline, (benzotriazolylmethyl)(5-chloro-2-nitrophenyl)amine, N-(benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline
| Molecular Formula | C13H10ClN5O2 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 3.0625 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0523 |
| Heavy Atoms | 21 |
| Complexity | 817.18176 |
Chemical Identifiers
| CAS Number | 401936-19-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline (CAS 401936-19-4), with molecular formula C13H10ClN5O2 and molecular weight 303.05 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline.
Chemical Property Profile of N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline
Property Insights of N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline
The XLogP value of 3.0625 indicates that N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline. Following Lipinski's Rule of Five, N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline has 1 hydrogen bond donor(s) and 5 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)-5-chloro-2-nitroaniline?
The CAS number of N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline is 401936-19-4.
What is the molecular formula of N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline?
The molecular formula of N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline is C13H10ClN5O2.
What is the molecular weight of N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline?
The molecular weight of N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline is 303.05 g/mol.
Where can I buy N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline?
You can request a quote for N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline 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)-5-chloro-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.