(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
TL;DR: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide (CAS 1164541-52-9) is a chemical compound with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
Also Known As: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide, (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-methoxyphenyl)prop-2-enamide, (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-methoxyphenyl)acrylamide, 2-cyano-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide, (E)-2-Cyano-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-(3-methoxy-phenyl)-acrylamide
| Molecular Formula | C15H16N2O4S |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 0.90548 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.08307 |
| Heavy Atoms | 22 |
| Complexity | 747.0511 |
Chemical Identifiers
| CAS Number | 1164541-52-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2CCS(=O)(=O)C2 |
Product Overview
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide (CAS 1164541-52-9), with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol. IUPAC: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
Property Insights of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
The XLogP value of 0.90548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 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)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The CAS number of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide is 1164541-52-9.
What is the molecular formula of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The molecular formula of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide is C15H16N2O4S.
What is the molecular weight of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The molecular weight of (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide is 320.08 g/mol.
Where can I buy (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
You can request a quote for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)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)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.