![N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide structure](/static/products/4284/428451-31-4.webp)
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide
TL;DR: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide (CAS 428451-31-4) is a chemical compound with molecular formula C14H9ClFN3O3S and molecular weight 353.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide
Also Known As: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide, AN-648/40682685, N-{4-chloro-3-nitrophenyl}-N'-(4-fluorobenzoyl)thiourea
| Molecular Formula | C14H9ClFN3O3S |
|---|---|
| Molecular Weight | 353.00 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.00372 |
| Heavy Atoms | 23 |
| Complexity | 783.337 |
Chemical Identifiers
| CAS Number | 428451-31-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])F |
Product Overview
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide (CAS 428451-31-4), with molecular formula C14H9ClFN3O3S and molecular weight 353.00 g/mol. IUPAC: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide
Property Insights of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide
The XLogP value of 3.5141 indicates that N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide has 2 hydrogen bond donor(s) and 4 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-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide is 428451-31-4.
What is the molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide is C14H9ClFN3O3S.
What is the molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide is 353.00 g/mol.
Where can I buy N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[(4-chloro-3-nitrophenyl)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-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.