1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione
TL;DR: 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione (CAS 111967-70-5) is a chemical compound with molecular formula C18H16N6O2 and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-bis(benzotriazol-1-yl)hexane-1,6-dione
Also Known As: BAS 00397215, 1,6-dibenzotriazolylhexane-1,6-dione, 1,1 -Adipoylbis(1H-benzotriazole), 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione, 1,6-bis(benzotriazol-1-yl)hexane-1,6-dione
| Molecular Formula | C18H16N6O2 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 2.717 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.13348 |
| Heavy Atoms | 26 |
| Complexity | 1009.16534 |
Chemical Identifiers
| CAS Number | 111967-70-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)CCCCC(=O)N3C4=CC=CC=C4N=N3 |
Product Overview
1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione (CAS 111967-70-5), with molecular formula C18H16N6O2 and molecular weight 348.13 g/mol. IUPAC: 1,6-bis(benzotriazol-1-yl)hexane-1,6-dione.
Chemical Property Profile of 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione
Property Insights of 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione
The XLogP value of 2.717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione. The TPSA of 95.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione. Following Lipinski's Rule of Five, 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-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 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione?
The CAS number of 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione is 111967-70-5.
What is the molecular formula of 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione?
The molecular formula of 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione is C18H16N6O2.
What is the molecular weight of 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione?
The molecular weight of 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione is 348.13 g/mol.
Where can I buy 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione?
You can request a quote for 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,6-bis(1H-benzotriazol-1-yl)hexane-1,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.