(E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid
TL;DR: (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid (CAS 896851-73-3) is a chemical compound with molecular formula C13H11ClN2O3S and molecular weight 310.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
Also Known As: (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid, 3-(2-chlorophenyl)-2-[(4-oxo-5,6-dihydro-3H-pyrimidin-2-yl)sulfanyl]prop-2-enoic Acid, (2E)-3-(2-chlorophenyl)-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid, (E)-3-(2-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C13H11ClN2O3S |
|---|---|
| Molecular Weight | 310.02 g/mol |
| LogP | 2.3746 |
| Topological Polar Surface Area | 78.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.01788 |
| Heavy Atoms | 20 |
| Complexity | 613.38873 |
Chemical Identifiers
| CAS Number | 896851-73-3 |
|---|---|
| SMILES | C1CN=C(NC1=O)S/C(=C/C2=CC=CC=C2Cl)/C(=O)O |
Product Overview
(E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid (CAS 896851-73-3), with molecular formula C13H11ClN2O3S and molecular weight 310.02 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid
Property Insights of (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid
The XLogP value of 2.3746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid. The TPSA of 78.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid 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 (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid?
The CAS number of (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid is 896851-73-3.
What is the molecular formula of (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid?
The molecular formula of (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid is C13H11ClN2O3S.
What is the molecular weight of (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid?
The molecular weight of (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid is 310.02 g/mol.
Where can I buy (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid?
You can request a quote for (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.