(2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide
TL;DR: (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide (CAS 848669-91-0) is a chemical compound with molecular formula C20H19ClFNO3S and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
Also Known As: (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide, (E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acrylamide, (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
| Molecular Formula | C20H19ClFNO3S |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 3.7082 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0758 |
| Heavy Atoms | 27 |
| Complexity | 940.197 |
Chemical Identifiers
| CAS Number | 848669-91-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=C(C=C3)Cl |
Product Overview
(2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide (CAS 848669-91-0), with molecular formula C20H19ClFNO3S and molecular weight 407.08 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide
Property Insights of (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide
The XLogP value of 3.7082 indicates that (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide has 0 hydrogen bond donor(s) and 3 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-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide?
The CAS number of (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide is 848669-91-0.
What is the molecular formula of (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide?
The molecular formula of (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide is C20H19ClFNO3S.
What is the molecular weight of (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide?
The molecular weight of (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide is 407.08 g/mol.
Where can I buy (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide?
You can request a quote for (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)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-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.