1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)-
TL;DR: 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- (CAS 130604-29-4) 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-(4-methylphenyl)-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-(4-methylphenyl)-, 3,4,6,7-Tetrahydro-4-(4-methylphenyl)-1H-1,4,7-benzotriazonine-2,5-dione, 4-(4-methylphenyl)-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione, 4-(4-Methylphenyl)-3,4,6,7-tetrahydro-1H-1,4,7-benzotriazonine-2,5-dione, BRN 4758450
| Molecular Formula | C17H17N3O2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.39222 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.13208 |
| Heavy Atoms | 22 |
| Complexity | 710.09894 |
Chemical Identifiers
| CAS Number | 130604-29-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC(=O)NC3=CC=CC=C3NCC2=O |
Product Overview
1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- (CAS 130604-29-4), with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol. IUPAC: 4-(4-methylphenyl)-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-(4-methylphenyl)-
Property Insights of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)-
The XLogP value of 2.39222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)-. 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-(4-methylphenyl)-. Following Lipinski's Rule of Five, 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- 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-(4-methylphenyl)-?
The CAS number of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- is 130604-29-4.
What is the molecular formula of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)-?
The molecular formula of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- is C17H17N3O2.
What is the molecular weight of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)-?
The molecular weight of 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- is 295.13 g/mol.
Where can I buy 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)-?
You can request a quote for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- 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-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.