N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea
TL;DR: N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea (CAS 428451-72-3) is a chemical compound with molecular formula C15H13FN2OS and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[(4-methylphenyl)carbamothioyl]benzamide
Also Known As: N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea, 3-fluoro-N-[(4-methylphenyl)carbamothioyl]benzamide, N-methylphenyl-N'-(3-flourobenzoyl)thiourea, AB00106973-01, AN-648/40682320
| Molecular Formula | C15H13FN2OS |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 3.26092 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.07327 |
| Heavy Atoms | 20 |
| Complexity | 640.5767 |
Chemical Identifiers
| CAS Number | 428451-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)F |
Product Overview
N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea (CAS 428451-72-3), with molecular formula C15H13FN2OS and molecular weight 288.07 g/mol. IUPAC: 3-fluoro-N-[(4-methylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea
Property Insights of N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea
The XLogP value of 3.26092 indicates that N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-fluorobenzoyl)-N'-(4-methylphenyl)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-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea?
The CAS number of N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea is 428451-72-3.
What is the molecular formula of N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea?
The molecular formula of N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea is C15H13FN2OS.
What is the molecular weight of N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea?
The molecular weight of N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea is 288.07 g/mol.
Where can I buy N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea?
You can request a quote for N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-fluorobenzoyl)-N'-(4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.