3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide
TL;DR: 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide (CAS 306766-72-3) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-N-(piperidine-1-carbothioyl)prop-2-enamide
Also Known As: BAS 00224365, 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide, (E)-3-(3,4-dimethoxyphenyl)-N-(piperidine-1-carbonothioyl)acrylamide, (E)-3-(3,4-dimethoxyphenyl)-N-(piperidine-1-carbothioyl)prop-2-enamide, (2E)-3-(3,4-dimethoxyphenyl)-N-(piperidin-1-ylcarbonothioyl)prop-2-enamide
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 2.604 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 595.50134 |
Chemical Identifiers
| CAS Number | 306766-72-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCCCC2)OC |
Product Overview
3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide (CAS 306766-72-3), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-(piperidine-1-carbothioyl)prop-2-enamide.
Chemical Property Profile of 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide
Property Insights of 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide
The XLogP value of 2.604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide. With a topological polar surface area (TPSA) of 50.8 Ų, 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide 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 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide?
The CAS number of 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide is 306766-72-3.
What is the molecular formula of 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide?
The molecular formula of 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide is C17H22N2O3S.
What is the molecular weight of 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide?
The molecular weight of 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide is 334.14 g/mol.
Where can I buy 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide?
You can request a quote for 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxy-phenyl)-N-(piperidine-1-carbothioyl)-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.