1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-
TL;DR: 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- (CAS 139593-75-2) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione
Also Known As: 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-, 3,4,6,7-Tetrahydro-4-phenyl-1H-1,4,7-benzotriazonine-2,5-dione, 4-phenyl-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione, 4-Phenyl-3,4,6,7-tetrahydro-1H-1,4,7-benzotriazonine-2,5-dione, BRN 4756415
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.0838 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 670.2321 |
Chemical Identifiers
| CAS Number | 139593-75-2 |
|---|---|
| SMILES | C1C(=O)N(CC(=O)NC2=CC=CC=C2N1)C3=CC=CC=C3 |
Product Overview
1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- (CAS 139593-75-2), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 4-phenyl-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione.
Chemical Property Profile of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-
Property Insights of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-
The XLogP value of 2.0838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-. Following Lipinski's Rule of Five, 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- 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 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-?
The CAS number of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- is 139593-75-2.
What is the molecular formula of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-?
The molecular formula of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- is C16H15N3O2.
What is the molecular weight of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-?
The molecular weight of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- is 281.12 g/mol.
Where can I buy 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-?
You can request a quote for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.