3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid
TL;DR: 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid (CAS 119840-19-6) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,4-diethoxy-6-methylpyrimidin-5-yl)prop-2-enoic acid
Also Known As: 3-(2,4-diethoxy-6-methyl-5-pyrimidinyl)acrylic acid, BAS 01579100, (E)-3-(2,4-diethoxy-6-methylpyrimidin-5-yl)prop-2-enoic acid, AJ-292/11720005, 3-(2,4-Diethoxy-6-methyl-pyrimidin-5-yl)-acrylic acid
Technical Specifications
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.11101 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 Da |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
| SMILES | CCOC1=NC(=NC(=C1/C=C/C(=O)O)C)OCC |
| InChIKey | DDHZRCBAICRSAT-VOTSOKGWSA-N |
Chemical Property Profile of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid
Property Insights of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid. Following Lipinski's Rule of Five, 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid?
The CAS number of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid is 119840-19-6.
What is the molecular formula of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid?
The molecular formula of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid is C12H16N2O4.
What is the molecular weight of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid?
The molecular weight of 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid is 252.11101 g/mol.
Where can I buy 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid?
You can request a quote for 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2,4-Diethoxy-6-methyl-5-pyrimidinyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.