N-benzoyl-N'-(4-fluorophenyl)thiourea
TL;DR: N-benzoyl-N'-(4-fluorophenyl)thiourea (CAS 399-07-5) is a chemical compound with molecular formula C14H11FN2OS and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)carbamothioyl]benzamide
Also Known As: N-benzoyl-N'-(4-fluorophenyl)thiourea, N-[(4-fluorophenyl)carbamothioyl]benzamide, 3-benzoyl-1-(4-fluorophenyl)thiourea, 1-benzoyl-3-(4-fluorophenyl)thiourea, N-(4-fluorophenylcarbamothioyl)benzamide
| Molecular Formula | C14H11FN2OS |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 2.9525 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.05762 |
| Heavy Atoms | 19 |
| Complexity | 584.1548 |
Chemical Identifiers
| CAS Number | 399-07-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)F |
Product Overview
N-benzoyl-N'-(4-fluorophenyl)thiourea (CAS 399-07-5), with molecular formula C14H11FN2OS and molecular weight 274.06 g/mol. IUPAC: N-[(4-fluorophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-benzoyl-N'-(4-fluorophenyl)thiourea
Property Insights of N-benzoyl-N'-(4-fluorophenyl)thiourea
The XLogP value of 2.9525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-N'-(4-fluorophenyl)thiourea. With a topological polar surface area (TPSA) of 41.13 Ų, N-benzoyl-N'-(4-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzoyl-N'-(4-fluorophenyl)thiourea has 2 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 N-benzoyl-N'-(4-fluorophenyl)thiourea?
The CAS number of N-benzoyl-N'-(4-fluorophenyl)thiourea is 399-07-5.
What is the molecular formula of N-benzoyl-N'-(4-fluorophenyl)thiourea?
The molecular formula of N-benzoyl-N'-(4-fluorophenyl)thiourea is C14H11FN2OS.
What is the molecular weight of N-benzoyl-N'-(4-fluorophenyl)thiourea?
The molecular weight of N-benzoyl-N'-(4-fluorophenyl)thiourea is 274.06 g/mol.
Where can I buy N-benzoyl-N'-(4-fluorophenyl)thiourea?
You can request a quote for N-benzoyl-N'-(4-fluorophenyl)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'-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.