N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide
TL;DR: N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide (CAS 849063-39-4) is a chemical compound with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-morpholin-4-ylethylcarbamothioyl)-3-phenylprop-2-enamide
Also Known As: N-(((2-MORPHOLIN-4-YLETHYL)AMINO)THIOXOMETHYL)-3-PHENYLPROP-2-ENAMIDE, N-(2-morpholin-4-ylethylcarbamothioyl)-3-phenylprop-2-enamide, N-(2-morpholin-4-ylethylthiocarbamoyl)-3-phenyl-prop-2-enamide, 3-[2-(morpholin-4-yl)ethyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea
| Molecular Formula | C16H21N3O2S |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 1.0227 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.13544 |
| Heavy Atoms | 22 |
| Complexity | 513.382 |
Chemical Identifiers
| CAS Number | 849063-39-4 |
|---|---|
| SMILES | C1COCCN1CCNC(=S)NC(=O)C=CC2=CC=CC=C2 |
Product Overview
N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide (CAS 849063-39-4), with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol. IUPAC: N-(2-morpholin-4-ylethylcarbamothioyl)-3-phenylprop-2-enamide.
Chemical Property Profile of N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide
Property Insights of N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide
The XLogP value of 1.0227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide. With a topological polar surface area (TPSA) of 53.6 Ų, N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-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 N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide?
The CAS number of N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide is 849063-39-4.
What is the molecular formula of N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide?
The molecular formula of N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide is C16H21N3O2S.
What is the molecular weight of N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide?
The molecular weight of N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide is 319.14 g/mol.
Where can I buy N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide?
You can request a quote for N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(((2-Morpholin-4-ylethyl)amino)thioxomethyl)-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.