![N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide structure](/static/products/3352/335212-88-9.webp)
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide
TL;DR: N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide (CAS 335212-88-9) is a chemical compound with molecular formula C15H12ClFN2OS and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide
Also Known As: BAS 02818042, N-(3-chloro-4-methylphenyl)-N'-(4-fluorobenzoyl)thiourea, N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide, 1-(3-Chloro-4-methyl-phenyl)-3-(4-fluoro-benzoyl)-thiourea, N-{[(3-chloro-4-methylphenyl)amino]carbonothioyl}-4-fluorobenzamide
| Molecular Formula | C15H12ClFN2OS |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 3.91432 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0343 |
| Heavy Atoms | 21 |
| Complexity | 688.573 |
Chemical Identifiers
| CAS Number | 335212-88-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)Cl |
Product Overview
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide (CAS 335212-88-9), with molecular formula C15H12ClFN2OS and molecular weight 322.03 g/mol. IUPAC: N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide
Property Insights of N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide
The XLogP value of 3.91432 indicates that N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide 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-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide 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-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide is 335212-88-9.
What is the molecular formula of N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide is C15H12ClFN2OS.
What is the molecular weight of N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide is 322.03 g/mol.
Where can I buy N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.