(2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide
TL;DR: (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide (CAS 872455-61-3) is a chemical compound with molecular formula C18H18BrNO4S and molecular weight 423.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide
Also Known As: (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide, (E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)acrylamide, (E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(2-furyl)prop-2-enamide, (E)-N-(3-Bromo-benzyl)-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-furan-2-yl-acrylamide
| Molecular Formula | C18H18BrNO4S |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 3.2712 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.01398 |
| Heavy Atoms | 25 |
| Complexity | 874.24084 |
Chemical Identifiers
| CAS Number | 872455-61-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)/C=C/C3=CC=CO3 |
Product Overview
(2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide (CAS 872455-61-3), with molecular formula C18H18BrNO4S and molecular weight 423.01 g/mol. IUPAC: (E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide.
Chemical Property Profile of (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide
Property Insights of (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide
The XLogP value of 3.2712 indicates that (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide has 0 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-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide?
The CAS number of (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide is 872455-61-3.
What is the molecular formula of (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide?
The molecular formula of (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide is C18H18BrNO4S.
What is the molecular weight of (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide?
The molecular weight of (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide is 423.01 g/mol.
Where can I buy (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide?
You can request a quote for (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-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 (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.