octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
TL;DR: octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate (CAS 1164537-72-7) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
Also Known As: BAS 00718793, octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate, 3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid octyl ester, (E)-3-(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)acrylic acid octyl ester, octyl 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acrylate
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 2.28852 |
| Topological Polar Surface Area | 92.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 613.3072 |
Chemical Identifiers
| CAS Number | 1164537-72-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)/C=C/C1=C(NC(=O)NC1=O)C |
Product Overview
octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate (CAS 1164537-72-7), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate.
Chemical Property Profile of octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
Property Insights of octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
The XLogP value of 2.28852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate. The TPSA of 92.02 Ų falls within the moderate polarity range, balancing permeability and solubility for octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate. Following Lipinski's Rule of Five, octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate 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 octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate?
The CAS number of octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate is 1164537-72-7.
What is the molecular formula of octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate?
The molecular formula of octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate is C16H24N2O4.
What is the molecular weight of octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate?
The molecular weight of octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate is 308.17 g/mol.
Where can I buy octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate?
You can request a quote for octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for octyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.