![Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate structure](/static/products/1179/117904-24-2.webp)
Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate
TL;DR: Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate (CAS 117904-24-2) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (Z)-2-benzamido-3-[(4-methylpyrimidin-2-yl)amino]prop-2-enoate
Also Known As: 8F-901, methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate, methyl (Z)-2-benzamido-3-[(4-methylpyrimidin-2-yl)amino]prop-2-enoate, methyl (2Z)-3-[(4-methylpyrimidin-2-yl)amino]-2-(phenylformamido)prop-2-enoate, methyl(2Z)-3-[(4-methylpyrimidin-2-yl)amino]-2-(phenylformamido)prop-2-enoate
Technical Specifications
| Molecular Formula | C16H16N4O3 |
| Molecular Weight | 312.12225 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.12225 Da |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
| SMILES | CC1=NC(=NC=C1)N/C=C(/C(=O)OC)\NC(=O)C2=CC=CC=C2 |
| InChIKey | KIFDNPIFBTZKRE-RAXLEYEMSA-N |
Chemical Property Profile of Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate
Property Insights of Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate. Following Lipinski's Rule of Five, Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate has 2 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 Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate?
The CAS number of Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate is 117904-24-2.
What is the molecular formula of Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate?
The molecular formula of Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate is C16H16N4O3.
What is the molecular weight of Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate?
The molecular weight of Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate is 312.12225 g/mol.
Where can I buy Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate?
You can request a quote for Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(benzoylamino)-3-[(4-methyl-2-pyrimidinyl)amino]acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.