Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine
TL;DR: Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine (CAS 111184-81-7) is a chemical compound with molecular formula C22H21N7 and molecular weight 383.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(benzotriazol-1-ylmethyl)-2-phenylethanamine
Also Known As: Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine, J1.127.886H, N,N-bis(benzotriazol-1-ylmethyl)-2-phenylethanamine, N,N-bis(benzotriazol-1-ylmethyl)-2-phenyl-ethanamine, 1,1 -Phenethyliminobismethylenebis(1H-benzotriazole)
| Molecular Formula | C22H21N7 |
|---|---|
| Molecular Weight | 383.19 g/mol |
| LogP | 3.3359 |
| Topological Polar Surface Area | 64.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.18585 |
| Heavy Atoms | 29 |
| Complexity | 1149.6251 |
Chemical Identifiers
| CAS Number | 111184-81-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4 |
Product Overview
Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine (CAS 111184-81-7), with molecular formula C22H21N7 and molecular weight 383.19 g/mol. IUPAC: N,N-bis(benzotriazol-1-ylmethyl)-2-phenylethanamine.
Chemical Property Profile of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine
Property Insights of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine
The XLogP value of 3.3359 indicates that Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine. Following Lipinski's Rule of Five, Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine has 0 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 Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine?
The CAS number of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine is 111184-81-7.
What is the molecular formula of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine?
The molecular formula of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine is C22H21N7.
What is the molecular weight of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine?
The molecular weight of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine is 383.19 g/mol.
Where can I buy Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine?
You can request a quote for Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(2-phenylethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.