N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine
TL;DR: N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine (CAS 111184-82-8) is a chemical compound with molecular formula C22H29N7 and molecular weight 391.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine
Also Known As: Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(octyl)amine, N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine, J1.207.594D, AE-018/31858026, 1,1 -(Octyliminobismethylene)bis(1H-benzotriazole)
| Molecular Formula | C22H29N7 |
|---|---|
| Molecular Weight | 391.25 g/mol |
| LogP | 4.4537 |
| Topological Polar Surface Area | 64.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 391.24844 |
| Heavy Atoms | 29 |
| Complexity | 959.6942 |
Chemical Identifiers
| CAS Number | 111184-82-8 |
|---|---|
| SMILES | CCCCCCCCN(CN1C2=CC=CC=C2N=N1)CN3C4=CC=CC=C4N=N3 |
Product Overview
N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine (CAS 111184-82-8), with molecular formula C22H29N7 and molecular weight 391.25 g/mol. IUPAC: N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine.
Chemical Property Profile of N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine
Property Insights of N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine
The XLogP value of 4.4537 indicates that N,N-bis(benzotriazol-1-ylmethyl)octan-1-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 N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine. Following Lipinski's Rule of Five, N,N-bis(benzotriazol-1-ylmethyl)octan-1-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 N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine?
The CAS number of N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine is 111184-82-8.
What is the molecular formula of N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine?
The molecular formula of N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine is C22H29N7.
What is the molecular weight of N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine?
The molecular weight of N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine is 391.25 g/mol.
Where can I buy N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine?
You can request a quote for N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.