![(2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide structure](/static/products/1164/1164546-17-1.webp)
(2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
TL;DR: (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide (CAS 1164546-17-1) is a chemical compound with molecular formula C18H16Cl2N2O3S and molecular weight 410.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide, (E)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide, N-{2-[(2,6-dichlorobenzyl)thio]ethyl}-3-(3-nitrophenyl)acrylamide
| Molecular Formula | C18H16Cl2N2O3S |
|---|---|
| Molecular Weight | 410.03 g/mol |
| LogP | 4.9644 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.02588 |
| Heavy Atoms | 26 |
| Complexity | 807.58356 |
Chemical Identifiers
| CAS Number | 1164546-17-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCCSCC2=C(C=CC=C2Cl)Cl |
Product Overview
(2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide (CAS 1164546-17-1), with molecular formula C18H16Cl2N2O3S and molecular weight 410.03 g/mol. IUPAC: (E)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
Property Insights of (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 4.9644 indicates that (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)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)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide is 1164546-17-1.
What is the molecular formula of (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide is C18H16Cl2N2O3S.
What is the molecular weight of (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide is 410.03 g/mol.
Where can I buy (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)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)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.