2-(3-Phenylpropanoylcarbamothioylamino)benzamide
TL;DR: 2-(3-Phenylpropanoylcarbamothioylamino)benzamide (CAS 642950-12-7) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylpropanoylcarbamothioylamino)benzamide
Also Known As: 2-(3-phenylpropanoylcarbamothioylamino)benzamide, 2-({[(3-phenylpropanoyl)amino]carbothioyl}amino)benzamide, AN-329/41573044, 2-({[(3-phenylpropanoyl)amino]carbonothioyl}amino)benzamide, 2-{[(3-phenylpropanoylamino)thioxomethyl]amino}benzamide
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 2.2313 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 716.7882 |
Chemical Identifiers
| CAS Number | 642950-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)N |
Product Overview
2-(3-Phenylpropanoylcarbamothioylamino)benzamide (CAS 642950-12-7), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 2-(3-phenylpropanoylcarbamothioylamino)benzamide.
Chemical Property Profile of 2-(3-Phenylpropanoylcarbamothioylamino)benzamide
Property Insights of 2-(3-Phenylpropanoylcarbamothioylamino)benzamide
The XLogP value of 2.2313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Phenylpropanoylcarbamothioylamino)benzamide. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Phenylpropanoylcarbamothioylamino)benzamide. Following Lipinski's Rule of Five, 2-(3-Phenylpropanoylcarbamothioylamino)benzamide 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 2-(3-Phenylpropanoylcarbamothioylamino)benzamide?
The CAS number of 2-(3-Phenylpropanoylcarbamothioylamino)benzamide is 642950-12-7.
What is the molecular formula of 2-(3-Phenylpropanoylcarbamothioylamino)benzamide?
The molecular formula of 2-(3-Phenylpropanoylcarbamothioylamino)benzamide is C17H17N3O2S.
What is the molecular weight of 2-(3-Phenylpropanoylcarbamothioylamino)benzamide?
The molecular weight of 2-(3-Phenylpropanoylcarbamothioylamino)benzamide is 327.10 g/mol.
Where can I buy 2-(3-Phenylpropanoylcarbamothioylamino)benzamide?
You can request a quote for 2-(3-Phenylpropanoylcarbamothioylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Phenylpropanoylcarbamothioylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Phenylpropanoylcarbamothioylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.