![N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide structure](/static/products/4310/431075-50-2.webp)
N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide
TL;DR: N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide (CAS 431075-50-2) is a chemical compound with molecular formula C14H10ClFN2OS and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide
Also Known As: N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide, AB00114995-01, N-(3-chloro-5-fluorophenyl)-N'-benzoylthiourea, N-benzoyl-N'-(3-chloro-4-fluorophenyl)thiourea, AP-970/40476506
| Molecular Formula | C14H10ClFN2OS |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 3.6059 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.01865 |
| Heavy Atoms | 20 |
| Complexity | 648.8771 |
Chemical Identifiers
| CAS Number | 431075-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide (CAS 431075-50-2), with molecular formula C14H10ClFN2OS and molecular weight 308.02 g/mol. IUPAC: N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide
Property Insights of N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide
The XLogP value of 3.6059 indicates that N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide 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-fluorophenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide 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-fluorophenyl)carbamothioyl]benzamide?
The CAS number of N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide is 431075-50-2.
What is the molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide?
The molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide is C14H10ClFN2OS.
What is the molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide?
The molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide is 308.02 g/mol.
Where can I buy N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide?
You can request a quote for N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide 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-fluorophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-fluorophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.