1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-
TL;DR: 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- (CAS 108735-49-5) is a chemical compound with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbenzoyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
Also Known As: 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-, 5,6,7,8-Tetrahydro-2-(3-methylbenzoyl)-1,2,4-triazolo(4,3-a)pyrimidin-3(2H)-one, 2-(3-methylbenzoyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one, 2-(3-Methylbenzoyl)-1,5,6,7-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one, RefChem:215206
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 0.85732 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 698.90906 |
Chemical Identifiers
| CAS Number | 108735-49-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C(=O)N3CCCNC3=N2 |
Product Overview
1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- (CAS 108735-49-5), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: 2-(3-methylbenzoyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.
Chemical Property Profile of 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-
Property Insights of 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-
The XLogP value of 0.85732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-. Following Lipinski's Rule of Five, 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- has 1 hydrogen bond donor(s) and 4 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 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-?
The CAS number of 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- is 108735-49-5.
What is the molecular formula of 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-?
The molecular formula of 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- is C13H14N4O2.
What is the molecular weight of 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-?
The molecular weight of 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- is 258.11 g/mol.
Where can I buy 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-?
You can request a quote for 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(4,3-a)pyrimidin-3(2H)-one, 5,6,7,8-tetrahydro-2-(3-methylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.