2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 627069-57-2) is a chemical compound with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3,4-dichlorophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-[5-(3,4-Dichloro-phenyl)-furan-2-yl]-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile, 2-[5-(3,4-DICHLOROPHENYL)-2-FURYL]-4-OXO-1-PHENYL-6-SULFANYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE, 2-[5-(3,4-dichlorophenyl)-2-furyl]-4-oxo-1-phenyl-6-sulfanyl-2,3-dihydropyrimidine-5-carbonitrile, 2-[5-(3,4-dichlorophenyl)furan-2-yl]-4-hydroxy-1-phenyl-6-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
| Molecular Formula | C21H13Cl2N3O2S |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 5.55338 |
| Topological Polar Surface Area | 69.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.01056 |
| Heavy Atoms | 29 |
| Complexity | 1168.1693 |
Chemical Identifiers
| CAS Number | 627069-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 627069-57-2), with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol. IUPAC: 2-[5-(3,4-dichlorophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 5.55338 indicates that 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 627069-57-2.
What is the molecular formula of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C21H13Cl2N3O2S.
What is the molecular weight of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 441.01 g/mol.
Where can I buy 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-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-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(3,4-dichlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.