4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one
TL;DR: 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one (CAS 182798-70-5) is a chemical compound with molecular formula C16H14N6O and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-bis(benzotriazol-1-yl)butan-2-one
Also Known As: 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one, 4,4-bis(benzotriazol-1-yl)butan-2-one, 4,4-dibenzotriazol-1-ylbutan-2-one, 4,4-Bis(1H-benzo[d][1,2,3]triazol-1-yl)butan-2-one
| Molecular Formula | C16H14N6O |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 2.202 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.1229 |
| Heavy Atoms | 23 |
| Complexity | 927.83307 |
Chemical Identifiers
| CAS Number | 182798-70-5 |
|---|---|
| SMILES | CC(=O)CC(N1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3 |
Product Overview
4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one (CAS 182798-70-5), with molecular formula C16H14N6O and molecular weight 306.12 g/mol. IUPAC: 4,4-bis(benzotriazol-1-yl)butan-2-one.
Chemical Property Profile of 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one
Property Insights of 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one
The XLogP value of 2.202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one. Following Lipinski's Rule of Five, 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one 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 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one?
The CAS number of 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one is 182798-70-5.
What is the molecular formula of 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one?
The molecular formula of 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one is C16H14N6O.
What is the molecular weight of 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one?
The molecular weight of 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one is 306.12 g/mol.
Where can I buy 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one?
You can request a quote for 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Bis(1H-1,2,3-benzotriazol-1-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.