![(2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid structure](/static/products/896/896853-87-5.png)
(2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid
TL;DR: (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid (CAS 896853-87-5) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(dimethylamino)phenyl]-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
Also Known As: (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid, (E)-3-(4-(dimethylamino)phenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid, (E)-3-(4-dimethylaminophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid, 3-(4-dimethylaminophenyl)-2-[(4-oxo-5,6-dihydro-3H-pyrimidin-2-yl)sulfanyl]prop-2-enoic Acid
| Molecular Formula | C15H17N3O3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 1.7872 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.09906 |
| Heavy Atoms | 22 |
| Complexity | 635.9377 |
Chemical Identifiers
| CAS Number | 896853-87-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C(\C(=O)O)/SC2=NCCC(=O)N2 |
Product Overview
(2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid (CAS 896853-87-5), with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol. IUPAC: (E)-3-[4-(dimethylamino)phenyl]-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid
Property Insights of (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid
The XLogP value of 1.7872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid 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 (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid?
The CAS number of (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid is 896853-87-5.
What is the molecular formula of (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid?
The molecular formula of (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid is C15H17N3O3S.
What is the molecular weight of (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid?
The molecular weight of (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid is 319.10 g/mol.
Where can I buy (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid?
You can request a quote for (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[4-(dimethylamino)phenyl]-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.