(E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
TL;DR: (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide (CAS 324546-91-0) is a chemical compound with molecular formula C13H14ClNO3S and molecular weight 299.04 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)prop-2-enamide
Also Known As: BAS 00472712, (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide, 3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydro-3-thienyl)acrylamide, (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-2-propenamide, (2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
| Molecular Formula | C13H14ClNO3S |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 1.6565 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0383 |
| Heavy Atoms | 19 |
| Complexity | 592.8193 |
Chemical Identifiers
| CAS Number | 324546-91-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)/C=C/C2=CC=C(C=C2)Cl |
Product Overview
(E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide (CAS 324546-91-0), with molecular formula C13H14ClNO3S and molecular weight 299.04 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Property Insights of (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
The XLogP value of 1.6565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide has 1 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 (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide?
The CAS number of (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide is 324546-91-0.
What is the molecular formula of (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide?
The molecular formula of (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide is C13H14ClNO3S.
What is the molecular weight of (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide?
The molecular weight of (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide is 299.04 g/mol.
Where can I buy (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide?
You can request a quote for (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-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 (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.