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N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide
TL;DR: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide (CAS 536722-19-7) is a chemical compound with molecular formula C14H9ClF2N2OS and molecular weight 326.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide
Also Known As: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide
| Molecular Formula | C14H9ClF2N2OS |
|---|---|
| Molecular Weight | 326.01 g/mol |
| LogP | 3.745 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.00922 |
| Heavy Atoms | 21 |
| Complexity | 709.1234 |
Chemical Identifiers
| CAS Number | 536722-19-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl)F |
Product Overview
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide (CAS 536722-19-7), with molecular formula C14H9ClF2N2OS and molecular weight 326.01 g/mol. IUPAC: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide.
Chemical Property Profile of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide
Property Insights of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide
The XLogP value of 3.745 indicates that N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-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-fluorophenyl)carbamothioyl]-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-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-fluorophenyl)carbamothioyl]-2-fluorobenzamide?
The CAS number of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide is 536722-19-7.
What is the molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide?
The molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide is C14H9ClF2N2OS.
What is the molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide?
The molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide is 326.01 g/mol.
Where can I buy N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide?
You can request a quote for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-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-fluorophenyl)carbamothioyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.