N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline
TL;DR: N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline (CAS 127395-23-7) is a chemical compound with molecular formula C21H19N7O and molecular weight 385.1651 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(benzotriazol-1-ylmethyl)-4-methoxyaniline
Also Known As: N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline, N,N-bis(benzotriazol-1-ylmethyl)-4-methoxyaniline, J1.127.899J, N,N-bis(benzotriazol-1-ylmethyl)-4-methoxy-aniline, 1,1 -(4-Methoxyphenyl)iminobismethylenebis(1H-benzotriazole)
Technical Specifications
| Molecular Formula | C21H19N7O |
| Molecular Weight | 385.1651 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.1651 Da |
| Heavy Atoms | 29 |
| Complexity | 495.0 |
| SMILES | COC1=CC=C(C=C1)N(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4 |
| InChIKey | LOPAJGASDVAZPR-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline
Property Insights of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline
The XLogP value of 3.9 indicates that N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline. Following Lipinski's Rule of Five, N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
The CAS number of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is 127395-23-7.
What is the molecular formula of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
The molecular formula of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is C21H19N7O.
What is the molecular weight of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
The molecular weight of N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline is 385.1651 g/mol.
Where can I buy N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
You can request a quote for N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline?
Yes, CoreyChem provides custom synthesis services for N,N-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-4-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.