2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 498535-55-0) is a chemical compound with molecular formula C17H12ClN3OS and molecular weight 341.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-(2-chlorophenyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-(2-chlorophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihydropyrimidine-5-carbon itrile, 2-(2-chlorophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
| Molecular Formula | C17H12ClN3OS |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | 3.63998 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.03897 |
| Heavy Atoms | 23 |
| Complexity | 829.2322 |
Chemical Identifiers
| CAS Number | 498535-55-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CC=C3Cl |
Product Overview
2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 498535-55-0), with molecular formula C17H12ClN3OS and molecular weight 341.04 g/mol. IUPAC: 2-(2-chlorophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 3.63998 indicates that 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile has 2 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 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 498535-55-0.
What is the molecular formula of 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C17H12ClN3OS.
What is the molecular weight of 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 341.04 g/mol.
Where can I buy 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-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 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.