![propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate structure](/static/products/4304/430445-50-4.webp)
propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
TL;DR: propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate (CAS 430445-50-4) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
Also Known As: (E)-propyl 4-(3-cinnamoylthioureido)benzoate, propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate, propyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 3.7798 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 786.46344 |
Chemical Identifiers
| CAS Number | 430445-50-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate (CAS 430445-50-4), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: propyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
Property Insights of propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
The XLogP value of 3.7798 indicates that propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate 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 propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
The CAS number of propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is 430445-50-4.
What is the molecular formula of propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular formula of propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is C20H20N2O3S.
What is the molecular weight of propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular weight of propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is 368.12 g/mol.
Where can I buy propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
You can request a quote for propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for propyl 4-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.