![3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one structure](/static/products/872/872590-70-0.png)
3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one
TL;DR: 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one (CAS 872590-70-0) is a chemical compound with molecular formula C13H8ClN5O and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-(4-chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one, F1876-0146, 3-(4-chlorophenyl)-6-(prop-2-yn-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C13H8ClN5O |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 1.2638 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.04175 |
| Heavy Atoms | 20 |
| Complexity | 872.3983 |
Chemical Identifiers
| CAS Number | 872590-70-0 |
|---|---|
| SMILES | C#CCN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)Cl |
Product Overview
3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one (CAS 872590-70-0), with molecular formula C13H8ClN5O and molecular weight 285.04 g/mol. IUPAC: 3-(4-chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one
Property Insights of 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one
The XLogP value of 1.2638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one has 0 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 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one is 872590-70-0.
What is the molecular formula of 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one is C13H8ClN5O.
What is the molecular weight of 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one is 285.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-6-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.