1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
TL;DR: 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile (CAS 331951-03-2) is a chemical compound with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6-methyl-4-oxopyrimidine-5-carbonitrile
Also Known As: AH-262/09889039, 1-(4-chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, 1-(4-chlorophenyl)-6-methyl-4-oxopyrimidine-5-carbonitrile
| Molecular Formula | C12H8ClN3O |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.03558 |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 331951-03-2 |
|---|---|
| SMILES | CC1=C(C(=O)N=CN1C2=CC=C(C=C2)Cl)C#N |
| InChIKey | JGIMAAZUYAVSBU-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile (CAS 331951-03-2), with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol. IUPAC: 1-(4-chlorophenyl)-6-methyl-4-oxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
Property Insights of 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile. With a topological polar surface area (TPSA) of 56.5 Ų, 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 2 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-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile?
The CAS number of 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile is 331951-03-2.
What is the molecular formula of 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile?
The molecular formula of 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile is C12H8ClN3O.
What is the molecular weight of 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile?
The molecular weight of 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile is 245.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile?
You can request a quote for 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.