N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline
TL;DR: N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline (CAS 438538-79-5) is a chemical compound with molecular formula C14H13N5O3 and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline
Also Known As: (benzotriazolylmethyl)(2-methoxy-4-nitrophenyl)amine, N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline, N-(benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline, N-(1,2,3-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline
| Molecular Formula | C14H13N5O3 |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 2.4177 |
| Topological Polar Surface Area | 95.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.10184 |
| Heavy Atoms | 22 |
| Complexity | 830.2113 |
Chemical Identifiers
| CAS Number | 438538-79-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NCN2C3=CC=CC=C3N=N2 |
Product Overview
N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline (CAS 438538-79-5), with molecular formula C14H13N5O3 and molecular weight 299.10 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline.
Chemical Property Profile of N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline
Property Insights of N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline
The XLogP value of 2.4177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline. The TPSA of 95.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline. Following Lipinski's Rule of Five, N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline has 1 hydrogen bond donor(s) and 6 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-methoxy-4-nitroaniline?
The CAS number of N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline is 438538-79-5.
What is the molecular formula of N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline?
The molecular formula of N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline is C14H13N5O3.
What is the molecular weight of N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline?
The molecular weight of N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline is 299.10 g/mol.
Where can I buy N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline?
You can request a quote for N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-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)-2-methoxy-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-benzotriazol-1-ylmethyl)-2-methoxy-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.