4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one
TL;DR: 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one (CAS 130604-28-3) is a chemical compound with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione
Also Known As: 3,4,6,7-Tetrahydro-4-(phenylmethyl)-1H-1,4,7-benzotriazonine-2,5-dione, 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(phenylmethyl)-, 4-benzyl-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione, 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one, RefChem:1070366
| Molecular Formula | C17H17N3O2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.0794 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.13208 |
| Heavy Atoms | 22 |
| Complexity | 685.31323 |
Chemical Identifiers
| CAS Number | 130604-28-3 |
|---|---|
| SMILES | C1C(=O)N(CC(=O)NC2=CC=CC=C2N1)CC3=CC=CC=C3 |
Product Overview
4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one (CAS 130604-28-3), with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol. IUPAC: 4-benzyl-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione.
Chemical Property Profile of 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one
Property Insights of 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one
The XLogP value of 2.0794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one. Following Lipinski's Rule of Five, 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one has 2 hydrogen bond donor(s) and 3 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-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one?
The CAS number of 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one is 130604-28-3.
What is the molecular formula of 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one?
The molecular formula of 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one is C17H17N3O2.
What is the molecular weight of 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one?
The molecular weight of 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one is 295.13 g/mol.
Where can I buy 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one?
You can request a quote for 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-6-hydroxy-1,2,4,5-tetrahydro-3H-1,4,7-benzotriazonin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.