1-Benzyl-3-cinnamoyl-2-thiourea
TL;DR: 1-Benzyl-3-cinnamoyl-2-thiourea (CAS 79628-52-7) 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.
(E)-N-(benzylcarbamothioyl)-3-phenylprop-2-enamide
Also Known As: 1-benzyl-3-cinnamoyl-2-thiourea, n-(benzylcarbamothioyl)-3-phenylprop-2-enamide, 3-benzyl-1-(3-phenylprop-2-enoyl)thiourea, (E)-N-(benzylcarbamothioyl)-3-phenylprop-2-enamide, N-(BENZYLTHIOCARBAMOYL)-3-PHENYL-PROP-2-ENAMIDE
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 79628-52-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | NGODYGDCMXDGFI-VAWYXSNFSA-N |
Product Overview
1-Benzyl-3-cinnamoyl-2-thiourea (CAS 79628-52-7), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: (E)-N-(benzylcarbamothioyl)-3-phenylprop-2-enamide.
Chemical Property Profile of 1-Benzyl-3-cinnamoyl-2-thiourea
Property Insights of 1-Benzyl-3-cinnamoyl-2-thiourea
The XLogP value of 3.9 indicates that 1-Benzyl-3-cinnamoyl-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-cinnamoyl-2-thiourea. Following Lipinski's Rule of Five, 1-Benzyl-3-cinnamoyl-2-thiourea 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 1-Benzyl-3-cinnamoyl-2-thiourea?
The CAS number of 1-Benzyl-3-cinnamoyl-2-thiourea is 79628-52-7.
What is the molecular formula of 1-Benzyl-3-cinnamoyl-2-thiourea?
The molecular formula of 1-Benzyl-3-cinnamoyl-2-thiourea is C17H16N2OS.
What is the molecular weight of 1-Benzyl-3-cinnamoyl-2-thiourea?
The molecular weight of 1-Benzyl-3-cinnamoyl-2-thiourea is 296.10 g/mol.
Where can I buy 1-Benzyl-3-cinnamoyl-2-thiourea?
You can request a quote for 1-Benzyl-3-cinnamoyl-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-cinnamoyl-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-cinnamoyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.