N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline
TL;DR: N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline (CAS 62001-34-7) is a chemical compound with molecular formula C14H14N4O and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-4-methoxyaniline
Also Known As: starbld0036048, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline, N-(benzotriazol-1-ylmethyl)-4-methoxyaniline, N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyaniline, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-methoxyanil
| Molecular Formula | C14H14N4O |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.11676 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 62001-34-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCN2C3=CC=CC=C3N=N2 |
| InChIKey | BOBQVFVCAFBBDK-UHFFFAOYSA-N |
Product Overview
N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline (CAS 62001-34-7), with molecular formula C14H14N4O and molecular weight 254.12 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-4-methoxyaniline.
Chemical Property Profile of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline
Property Insights of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline
The XLogP value of 3.0 indicates that N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline has 1 hydrogen bond donor(s) and 4 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)-4-methoxyaniline?
The CAS number of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is 62001-34-7.
What is the molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
The molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is C14H14N4O.
What is the molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
The molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is 254.12 g/mol.
Where can I buy N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
You can request a quote for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline 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)-4-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.