N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide
TL;DR: N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide (CAS 6986-91-0) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-N-(2-phenylethylcarbamothioyl)prop-2-enamide
Also Known As: N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide, 3-phenyl-N-(2-phenylethylcarbamothioyl)prop-2-enamide, N-(phenethylcarbamothioyl)-3-phenylprop-2-enamide, 3-Phenyl-N-{[(2-phenylethyl)imino](sulfanyl)methyl}prop-2-enimidic acid
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 2.9332 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 638.6514 |
Chemical Identifiers
| CAS Number | 6986-91-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)NC(=O)C=CC2=CC=CC=C2 |
Product Overview
N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide (CAS 6986-91-0), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: 3-phenyl-N-(2-phenylethylcarbamothioyl)prop-2-enamide.
Chemical Property Profile of N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide
Property Insights of N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide
The XLogP value of 2.9332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide. With a topological polar surface area (TPSA) of 41.13 Ų, N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide has 2 hydrogen bond donor(s) and 2 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-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide?
The CAS number of N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide is 6986-91-0.
What is the molecular formula of N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide?
The molecular formula of N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide is C18H18N2OS.
What is the molecular weight of N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide?
The molecular weight of N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide is 310.11 g/mol.
Where can I buy N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide?
You can request a quote for N-(phenethylthiocarbamoyl)-3-phenyl-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 N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(phenethylthiocarbamoyl)-3-phenyl-prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.