![(2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide structure](/static/products/116/1164547-30-1.png)
(2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide
TL;DR: (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide (CAS 1164547-30-1) is a chemical compound with molecular formula C19H17Cl2NO3S and molecular weight 409.03 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-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide
Also Known As: (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2,6-dichlorobenzyl)thio)ethyl)acrylamide, (E)-3-Benzo[1,3]dioxol-5-yl-N-[2-(2,6-dichloro-benzylsulfanyl)-ethyl]-acrylamide, (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide
| Molecular Formula | C19H17Cl2NO3S |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 4.7849 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.0306 |
| Heavy Atoms | 26 |
| Complexity | 806.1767 |
Chemical Identifiers
| CAS Number | 1164547-30-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSCC3=C(C=CC=C3Cl)Cl |
Product Overview
(2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide (CAS 1164547-30-1), with molecular formula C19H17Cl2NO3S and molecular weight 409.03 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide
Property Insights of (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide
The XLogP value of 4.7849 indicates that (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}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, (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}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 (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide?
The CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide is 1164547-30-1.
What is the molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide?
The molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide is C19H17Cl2NO3S.
What is the molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide?
The molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide is 409.03 g/mol.
Where can I buy (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide?
You can request a quote for (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}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 (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.