4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid
TL;DR: 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid (CAS 5772-92-9) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid
Also Known As: 4-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid, 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid, Benzoicacid, 4-[[[(1-oxo-3-phenyl-2-propen-1-yl)amino]thioxomethyl]amino]-
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.9112 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 740.1936 |
Chemical Identifiers
| CAS Number | 5772-92-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid (CAS 5772-92-9), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 4-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid
Property Insights of 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid
The XLogP value of 2.9112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid has 3 hydrogen bond donor(s) and 3 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 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid?
The CAS number of 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid is 5772-92-9.
What is the molecular formula of 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid?
The molecular formula of 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid is C17H14N2O3S.
What is the molecular weight of 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid?
The molecular weight of 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid is 326.07 g/mol.
Where can I buy 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid?
You can request a quote for 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Phenylprop-2-enoylcarbamothioylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.