1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 338399-17-0) is a chemical compound with molecular formula C12H8ClN3O2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-(4-chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 2H-907, chlorobenzyldioxotetrahydropyrimidinecarbonitrile, 1-[(4-chlorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
| Molecular Formula | C12H8ClN3O2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 1.10998 |
| Topological Polar Surface Area | 78.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.03052 |
| Heavy Atoms | 18 |
| Complexity | 722.7133 |
Chemical Identifiers
| CAS Number | 338399-17-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C(=O)NC2=O)C#N)Cl |
Product Overview
1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 338399-17-0), with molecular formula C12H8ClN3O2 and molecular weight 261.03 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 1.10998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. The TPSA of 78.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 338399-17-0.
What is the molecular formula of 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C12H8ClN3O2.
What is the molecular weight of 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 261.03 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-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-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.