N-benzoyl-N'-(2-phenoxyphenyl)thiourea
TL;DR: N-benzoyl-N'-(2-phenoxyphenyl)thiourea (CAS 76839-52-6) is a chemical compound with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-phenoxyphenyl)carbamothioyl]benzamide
Also Known As: N-benzoyl-N'-(2-phenoxyphenyl)thiourea, 1-benzoyl-3-(2-phenoxyphenyl)thiourea, N-[(2-phenoxyphenyl)carbamothioyl]benzamide, 1-(2-phenoxyphenyl)-3-benzoylthiourea, Benzamide, N-[[(2-phenoxyphenyl)amino]thioxomethyl]-
| Molecular Formula | C20H16N2O2S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 4.6057 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.09326 |
| Heavy Atoms | 25 |
| Complexity | 867.1342 |
Chemical Identifiers
| CAS Number | 76839-52-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC3=CC=CC=C3 |
Product Overview
N-benzoyl-N'-(2-phenoxyphenyl)thiourea (CAS 76839-52-6), with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol. IUPAC: N-[(2-phenoxyphenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-benzoyl-N'-(2-phenoxyphenyl)thiourea
Property Insights of N-benzoyl-N'-(2-phenoxyphenyl)thiourea
The XLogP value of 4.6057 indicates that N-benzoyl-N'-(2-phenoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, N-benzoyl-N'-(2-phenoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzoyl-N'-(2-phenoxyphenyl)thiourea 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 N-benzoyl-N'-(2-phenoxyphenyl)thiourea?
The CAS number of N-benzoyl-N'-(2-phenoxyphenyl)thiourea is 76839-52-6.
What is the molecular formula of N-benzoyl-N'-(2-phenoxyphenyl)thiourea?
The molecular formula of N-benzoyl-N'-(2-phenoxyphenyl)thiourea is C20H16N2O2S.
What is the molecular weight of N-benzoyl-N'-(2-phenoxyphenyl)thiourea?
The molecular weight of N-benzoyl-N'-(2-phenoxyphenyl)thiourea is 348.09 g/mol.
Where can I buy N-benzoyl-N'-(2-phenoxyphenyl)thiourea?
You can request a quote for N-benzoyl-N'-(2-phenoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-(2-phenoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(2-phenoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.