(E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide (CAS 354547-38-9) is a chemical compound with molecular formula C21H20N2O3S and molecular weight 380.12 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-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide, 3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acrylamide, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-N-(3-cyano-6-ethyl(4,5,6,7-tetrahydr obenzo[b]thiophen-2-yl))prop-2-enamide
| Molecular Formula | C21H20N2O3S |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 4.51528 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.11948 |
| Heavy Atoms | 27 |
| Complexity | 955.06683 |
Chemical Identifiers
| CAS Number | 354547-38-9 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide (CAS 354547-38-9), with molecular formula C21H20N2O3S and molecular weight 380.12 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
The XLogP value of 4.51528 indicates that (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-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-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is 354547-38-9.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is C21H20N2O3S.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is 380.12 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-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-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.