Tris(1H-benzotriazole-1-ylmethyl)amine
TL;DR: Tris(1H-benzotriazole-1-ylmethyl)amine (CAS 121238-82-2) is a chemical compound with molecular formula C21H18N10 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)-N,N-bis(benzotriazol-1-ylmethyl)methanamine
Also Known As: starbld0028042, Tris(1H-benzotriazole-1-ylmethyl)amine, Tris((1H-benzo[d][1,2,3]triazol-1-yl)methyl)amine, Tris(1H-1,2,3-benzotriazol-1-ylmethyl)amine, tris(1,2,3-benzotriazol-1-ylmethyl)amine
| Molecular Formula | C21H18N10 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 2.4956 |
| Topological Polar Surface Area | 95.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1716 |
| Heavy Atoms | 31 |
| Complexity | 1313.329 |
Chemical Identifiers
| CAS Number | 121238-82-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CN(CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5 |
Product Overview
Tris(1H-benzotriazole-1-ylmethyl)amine (CAS 121238-82-2), with molecular formula C21H18N10 and molecular weight 410.17 g/mol. IUPAC: 1-(benzotriazol-1-yl)-N,N-bis(benzotriazol-1-ylmethyl)methanamine.
Chemical Property Profile of Tris(1H-benzotriazole-1-ylmethyl)amine
Property Insights of Tris(1H-benzotriazole-1-ylmethyl)amine
The XLogP value of 2.4956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(1H-benzotriazole-1-ylmethyl)amine. The TPSA of 95.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(1H-benzotriazole-1-ylmethyl)amine. Following Lipinski's Rule of Five, Tris(1H-benzotriazole-1-ylmethyl)amine has 0 hydrogen bond donor(s) and 7 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 Tris(1H-benzotriazole-1-ylmethyl)amine?
The CAS number of Tris(1H-benzotriazole-1-ylmethyl)amine is 121238-82-2.
What is the molecular formula of Tris(1H-benzotriazole-1-ylmethyl)amine?
The molecular formula of Tris(1H-benzotriazole-1-ylmethyl)amine is C21H18N10.
What is the molecular weight of Tris(1H-benzotriazole-1-ylmethyl)amine?
The molecular weight of Tris(1H-benzotriazole-1-ylmethyl)amine is 410.17 g/mol.
Where can I buy Tris(1H-benzotriazole-1-ylmethyl)amine?
You can request a quote for Tris(1H-benzotriazole-1-ylmethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(1H-benzotriazole-1-ylmethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Tris(1H-benzotriazole-1-ylmethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.