(E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide (CAS 583854-83-5) is a chemical compound with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide, 3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)acrylamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)prop-2-enamide, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-N-(1,3-dimethyl-2,6-dioxo(1,3-dihydr opyrimidin-4-yl))prop-2-enamide, (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)prop-2-enamide
| Molecular Formula | C16H15N3O5 |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 0.4646 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.10117 |
| Heavy Atoms | 24 |
| Complexity | 955.1608 |
Chemical Identifiers
| CAS Number | 583854-83-5 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide (CAS 583854-83-5), with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
The XLogP value of 0.4646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide has 1 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 (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide is 583854-83-5.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide is C16H15N3O5.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide is 329.10 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.