Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine
TL;DR: Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine (CAS 111184-79-3) is a chemical compound with molecular formula C17H19N7 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(benzotriazol-1-ylmethyl)propan-1-amine
Also Known As: starbld0048951, Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine, N,N-bis(benzotriazol-1-ylmethyl)propan-1-amine, J1.271.594C, 1,1 -Propyliminobismethylenebis(1H-benzotriazole)
| Molecular Formula | C17H19N7 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 2.5032 |
| Topological Polar Surface Area | 64.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1702 |
| Heavy Atoms | 24 |
| Complexity | 879.5605 |
Chemical Identifiers
| CAS Number | 111184-79-3 |
|---|---|
| SMILES | CCCN(CN1C2=CC=CC=C2N=N1)CN3C4=CC=CC=C4N=N3 |
Product Overview
Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine (CAS 111184-79-3), with molecular formula C17H19N7 and molecular weight 321.17 g/mol. IUPAC: N,N-bis(benzotriazol-1-ylmethyl)propan-1-amine.
Chemical Property Profile of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine
Property Insights of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine
The XLogP value of 2.5032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine. 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)(propyl)amine. Following Lipinski's Rule of Five, Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)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)(propyl)amine?
The CAS number of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine is 111184-79-3.
What is the molecular formula of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine?
The molecular formula of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine is C17H19N7.
What is the molecular weight of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine?
The molecular weight of Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine is 321.17 g/mol.
Where can I buy Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine?
You can request a quote for Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)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)(propyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.