![3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one structure](/static/products/872/872591-34-9.png)
3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
TL;DR: 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one (CAS 872591-34-9) is a chemical compound with molecular formula C14H12ClN5O and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-(3-chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one, F1876-1097, 3-(3-chloro-4-methylphenyl)-6-(prop-2-en-1-yl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 6-allyl-3-(3-chloro-4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 3-(3-Chloro-4-methylphenyl)-6-(prop-2-en-1-yl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C14H12ClN5O |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.12502 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.07303 |
| Heavy Atoms | 21 |
| Complexity | 896.00604 |
Chemical Identifiers
| CAS Number | 872591-34-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC=C)N=N2)Cl |
Product Overview
3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one (CAS 872591-34-9), with molecular formula C14H12ClN5O and molecular weight 301.07 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
Property Insights of 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
The XLogP value of 2.12502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[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-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one is 872591-34-9.
What is the molecular formula of 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one is C14H12ClN5O.
What is the molecular weight of 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one is 301.07 g/mol.
Where can I buy 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[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-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.