4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 488723-63-3) is a chemical compound with molecular formula C17H13N3OS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-2,3-diphenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: A3180/0134677, 4-oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 6-oxo-2,3-diphenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, 6-mercapto-4-oxo-1,2-diphenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 6-oxo-2,3-diphenyl-4-sulfanyl-1,2,3-trihydropyrimidine-5-carbonitrile
| Molecular Formula | C17H13N3OS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 2.98658 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.07794 |
| Heavy Atoms | 22 |
| Complexity | 765.496 |
Chemical Identifiers
| CAS Number | 488723-63-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N |
Product Overview
4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 488723-63-3), with molecular formula C17H13N3OS and molecular weight 307.08 g/mol. IUPAC: 6-oxo-2,3-diphenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 2.98658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. With a topological polar surface area (TPSA) of 56.13 Ų, 4-Oxo-1,2-diphenyl-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, 4-Oxo-1,2-diphenyl-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 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 488723-63-3.
What is the molecular formula of 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C17H13N3OS.
What is the molecular weight of 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 307.08 g/mol.
Where can I buy 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 4-Oxo-1,2-diphenyl-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 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1,2-diphenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.