![2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate structure](/static/products/3039/303997-30-0.webp)
2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate
TL;DR: 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate (CAS 303997-30-0) is a chemical compound with molecular formula C17H16ClN3O7 and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate
Also Known As: 12E-943, 2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate, 2-[5-{[(ethoxycarbonyl)amino]carbonyl}-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 3-chlorobenzenecarboxylate, 2-(5-{[(ethoxycarbonyl)amino]carbonyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethyl 3-chlorobenzoate
| Molecular Formula | C17H16ClN3O7 |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 0.9333 |
| Topological Polar Surface Area | 136.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.0677 |
| Heavy Atoms | 28 |
| Complexity | 1012.29596 |
Chemical Identifiers
| CAS Number | 303997-30-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOC(=O)C2=CC(=CC=C2)Cl |
Product Overview
2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate (CAS 303997-30-0), with molecular formula C17H16ClN3O7 and molecular weight 409.07 g/mol. IUPAC: 2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate.
Chemical Property Profile of 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate
Property Insights of 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate
The XLogP value of 0.9333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate. The TPSA of 136.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate. Following Lipinski's Rule of Five, 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate has 2 hydrogen bond donor(s) and 7 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 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate?
The CAS number of 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate is 303997-30-0.
What is the molecular formula of 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate?
The molecular formula of 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate is C17H16ClN3O7.
What is the molecular weight of 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate?
The molecular weight of 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate is 409.07 g/mol.
Where can I buy 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate?
You can request a quote for 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.