1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 720671-85-2) is a chemical compound with molecular formula C16H13N3OS2 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile, AF-399/42810490, F1762-0057, 6-mercapto-4-oxo-2-(thiophen-2-yl)-1-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C16H13N3OS2 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 3.3565 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.05002 |
| Heavy Atoms | 22 |
| Complexity | 772.7223 |
Chemical Identifiers
| CAS Number | 720671-85-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3 |
Product Overview
1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 720671-85-2), with molecular formula C16H13N3OS2 and molecular weight 327.05 g/mol. IUPAC: 3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of 3.3565 indicates that 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile has 2 hydrogen bond donor(s) and 5 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-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 720671-85-2.
What is the molecular formula of 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C16H13N3OS2.
What is the molecular weight of 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 327.05 g/mol.
Where can I buy 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.