Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate
TL;DR: Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate (CAS 24723-45-3) is a chemical compound with molecular formula C17H18N2OS and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate
Also Known As: methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate, Benzenecarboximidothioicacid, 4-[(1-oxo-3-phenylpropyl)amino]-, methyl ester, hydriodide (1:1)
| Molecular Formula | C17H18N2OS |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.11398 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 24723-45-3 |
|---|---|
| SMILES | CSC(=N)C1=CC=C(C=C1)NC(=O)CCC2=CC=CC=C2 |
| InChIKey | IOAVIHKZQYKXOP-UHFFFAOYSA-N |
Product Overview
Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate (CAS 24723-45-3), with molecular formula C17H18N2OS and molecular weight 298.11 g/mol. IUPAC: methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate.
Chemical Property Profile of Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate
Property Insights of Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate
The XLogP value of 3.5 indicates that Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate. Following Lipinski's Rule of Five, Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate has 2 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 Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate?
The CAS number of Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate is 24723-45-3.
What is the molecular formula of Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate?
The molecular formula of Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate is C17H18N2OS.
What is the molecular weight of Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate?
The molecular weight of Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate is 298.11 g/mol.
Where can I buy Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate?
You can request a quote for Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-phenylpropanoylamino)benzenecarboximidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.