Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide
TL;DR: Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide (CAS 77516-55-3) is a chemical compound with molecular formula C16H17N3OS and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzamido-3-(2-phenylethyl)thiourea
Also Known As: 1-benzamido-3-phenethylthiourea, Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide, AB01321073-02, 2-(phenylcarbonyl)-N-(2-phenylethyl)hydrazinecarbothioamide, 2-Benzoyl-N-(2-phenylethyl)hydrazine-1-carbothioamide
| Molecular Formula | C16H17N3OS |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 2.0382 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.10922 |
| Heavy Atoms | 21 |
| Complexity | 586.9858 |
Chemical Identifiers
| CAS Number | 77516-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)NNC(=O)C2=CC=CC=C2 |
Product Overview
Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide (CAS 77516-55-3), with molecular formula C16H17N3OS and molecular weight 299.11 g/mol. IUPAC: 1-benzamido-3-(2-phenylethyl)thiourea.
Chemical Property Profile of Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide
Property Insights of Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide
The XLogP value of 2.0382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide. With a topological polar surface area (TPSA) of 53.16 Ų, Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide has 3 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 Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide?
The CAS number of Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide is 77516-55-3.
What is the molecular formula of Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide?
The molecular formula of Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide is C16H17N3OS.
What is the molecular weight of Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide?
The molecular weight of Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide is 299.11 g/mol.
Where can I buy Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide?
You can request a quote for Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.