![2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one structure](/static/products/860/860463-05-4.png)
2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
TL;DR: 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one (CAS 860463-05-4) is a chemical compound with molecular formula C14H11ClN4O and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol, 2-(4-chlorophenyl)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one
| Molecular Formula | C14H11ClN4O |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.2267 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.06213 |
| Heavy Atoms | 20 |
| Complexity | 863.2515 |
Chemical Identifiers
| CAS Number | 860463-05-4 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3N=C(NN3C2=O)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one (CAS 860463-05-4), with molecular formula C14H11ClN4O and molecular weight 286.06 g/mol. IUPAC: 11-(4-chlorophenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Property Insights of 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
The XLogP value of 2.2267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one has 1 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 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The CAS number of 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is 860463-05-4.
What is the molecular formula of 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The molecular formula of 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is C14H11ClN4O.
What is the molecular weight of 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The molecular weight of 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is 286.06 g/mol.
Where can I buy 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
You can request a quote for 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.