![(2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide structure](/static/products/116/1164541-61-0.png)
(2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide
TL;DR: (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide (CAS 1164541-61-0) is a chemical compound with molecular formula C20H21ClN4OS and molecular weight 400.11 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-ylpiperidin-1-yl)carbamothioyl]prop-2-enamide
Also Known As: (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide, (E)-3-(4-chlorophenyl)-N-((2-(pyridin-3-yl)piperidin-1-yl)carbamothioyl)acrylamide, (E)-3-(4-chlorophenyl)-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]prop-2-enamide, 1-[(E)-3-(4-Chloro-phenyl)-acryloyl]-3-(3,4,5,6-tetrahydro-2H-[2,3']bipyridinyl-1-yl)-thiourea, REGID_for_CID_5904533
| Molecular Formula | C20H21ClN4OS |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.8811 |
| Topological Polar Surface Area | 57.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11246 |
| Heavy Atoms | 27 |
| Complexity | 810.4912 |
Chemical Identifiers
| CAS Number | 1164541-61-0 |
|---|---|
| SMILES | C1CCN(C(C1)C2=CN=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl |
Product Overview
(2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide (CAS 1164541-61-0), with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide
Property Insights of (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide
The XLogP value of 3.8811 indicates that (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.26 Ų, (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide has 2 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 (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide?
The CAS number of (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide is 1164541-61-0.
What is the molecular formula of (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide?
The molecular formula of (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide is C20H21ClN4OS.
What is the molecular weight of (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide?
The molecular weight of (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide is 400.11 g/mol.
Where can I buy (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide?
You can request a quote for (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}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 (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.