(E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide (CAS 459147-79-6) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 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-(2-oxothiolan-3-yl)prop-2-enamide
Also Known As: BAS 03031469, AB01334743-02, (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxotetrahydrothiophen-3-yl)prop-2-enamide, 3-Benzo[1,3]dioxol-5-yl-N-(2-oxo-tetrahydro-thiophen-3-yl)-acrylamide
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 1.5768 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 584.5367 |
Chemical Identifiers
| CAS Number | 459147-79-6 |
|---|---|
| SMILES | C1CSC(=O)C1NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide (CAS 459147-79-6), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide
The XLogP value of 1.5768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-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-(2-oxothiolan-3-yl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide is 459147-79-6.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide is C14H13NO4S.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide is 291.06 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-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-(2-oxothiolan-3-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.