(E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide
TL;DR: (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide (CAS 858740-30-4) is a chemical compound with molecular formula C20H20ClN3OS and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)prop-2-enamide
Also Known As: (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}prop-2-enamide, (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide, (E)-3-(4-chlorophenyl)-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)prop-2-enamide
| Molecular Formula | C20H20ClN3OS |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 4.3765 |
| Topological Polar Surface Area | 45.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.10156 |
| Heavy Atoms | 26 |
| Complexity | 792.46344 |
Chemical Identifiers
| CAS Number | 858740-30-4 |
|---|---|
| SMILES | C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl |
Product Overview
(E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide (CAS 858740-30-4), with molecular formula C20H20ClN3OS and molecular weight 385.10 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide
Property Insights of (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide
The XLogP value of 4.3765 indicates that (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.23 Ų, (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide 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-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
The CAS number of (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is 858740-30-4.
What is the molecular formula of (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
The molecular formula of (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is C20H20ClN3OS.
What is the molecular weight of (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
The molecular weight of (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide is 385.10 g/mol.
Where can I buy (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
You can request a quote for (E)-3-(4-chlorophenyl)-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-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chlorophenyl)-N-(2-(pyridin-3-yl)piperidine-1-carbonothioyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.