(E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide (CAS 6401-46-3) is a chemical compound with molecular formula C19H19NO3S and molecular weight 341.11 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-benzylsulfanylethyl)prop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-[2-(benzylthio)ethyl]acrylamide, (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide, (2E)-3-(2H-1,3-BENZODIOXOL-5-YL)-N-[2-(BENZYLSULFANYL)ETHYL]PROP-2-ENAMIDE, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-N-[2-(phenylmethylthio)ethyl]prop-2- enamide
| Molecular Formula | C19H19NO3S |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 3.4781 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.10855 |
| Heavy Atoms | 24 |
| Complexity | 715.80676 |
Chemical Identifiers
| CAS Number | 6401-46-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSCC3=CC=CC=C3 |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide (CAS 6401-46-3), with molecular formula C19H19NO3S and molecular weight 341.11 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide
The XLogP value of 3.4781 indicates that (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide has 1 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 (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide is 6401-46-3.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide is C19H19NO3S.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide is 341.11 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)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-benzylsulfanylethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.