1,8-Bis(benzotriazol-1-yl)octane-1,8-dione
TL;DR: 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione (CAS 111967-69-2) is a chemical compound with molecular formula C20H20N6O2 and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-bis(benzotriazol-1-yl)octane-1,8-dione
Also Known As: 1,8-bis(benzotriazol-1-yl)octane-1,8-dione, 1,1'-Suberoylbis(1H-benzotriazole), BAS 00821941, 1,8-dibenzotriazolyloctane-1,8-dione, 1,8-Bis-benzotriazol-1-yl-octane-1,8-dione
| Molecular Formula | C20H20N6O2 |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.16476 |
| Heavy Atoms | 28 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 111967-69-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)CCCCCCC(=O)N3C4=CC=CC=C4N=N3 |
| InChIKey | GKWLBJNKSAHDAF-UHFFFAOYSA-N |
Product Overview
1,8-Bis(benzotriazol-1-yl)octane-1,8-dione (CAS 111967-69-2), with molecular formula C20H20N6O2 and molecular weight 376.16 g/mol. IUPAC: 1,8-bis(benzotriazol-1-yl)octane-1,8-dione.
Chemical Property Profile of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione
Property Insights of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione
The XLogP value of 3.4 indicates that 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione. Following Lipinski's Rule of Five, 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione 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
Frequently Asked Questions
What is the CAS number of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione?
The CAS number of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione is 111967-69-2.
What is the molecular formula of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione?
The molecular formula of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione is C20H20N6O2.
What is the molecular weight of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione?
The molecular weight of 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione is 376.16 g/mol.
Where can I buy 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione?
You can request a quote for 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Bis(benzotriazol-1-yl)octane-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.