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N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
TL;DR: N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide (CAS 4295-12-9) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.52142 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 665.5001 |
Chemical Identifiers
| CAS Number | 4295-12-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2 |
Product Overview
N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide (CAS 4295-12-9), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
Property Insights of N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
The XLogP value of 3.52142 indicates that N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-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-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The CAS number of N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide is 4295-12-9.
What is the molecular formula of N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The molecular formula of N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide is C17H16N2OS.
What is the molecular weight of N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The molecular weight of N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide is 296.10 g/mol.
Where can I buy N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
You can request a quote for N-[(3-methylphenyl)carbamothioyl]-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-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.