(E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide
TL;DR: (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide (CAS 858740-10-0) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)prop-2-enamide
Also Known As: (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide, (E)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)prop-2-enamide, (2E)-3-(3,4-dimethoxyphenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}prop-2-enamide
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 3.7403 |
| Topological Polar Surface Area | 63.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 886.12616 |
Chemical Identifiers
| CAS Number | 858740-10-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCCCC2C3=CN=CC=C3)OC |
Product Overview
(E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide (CAS 858740-10-0), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide
Property Insights of (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide
The XLogP value of 3.7403 indicates that (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide. Following Lipinski's Rule of Five, (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide 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)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
The CAS number of (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is 858740-10-0.
What is the molecular formula of (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
The molecular formula of (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is C22H25N3O3S.
What is the molecular weight of (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
The molecular weight of (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is 411.16 g/mol.
Where can I buy (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
You can request a quote for (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3,4-dimethoxyphenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.