![N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide structure](/static/products/3142/314289-91-3.webp)
N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide
TL;DR: N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide (CAS 314289-91-3) is a chemical compound with molecular formula C20H15ClFN3OS and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide
Also Known As: BAS 01175958, BIM-0049888.P001, N-(3-chlorophenyl)-3-({[(4-fluorophenyl)amino]carbonothioyl}amino)benzamide, N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide, N-(3-Chloro-phenyl)-3-[3-(4-fluoro-phenyl)-thioureido]-benzamide
| Molecular Formula | C20H15ClFN3OS |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 5.5403 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.06085 |
| Heavy Atoms | 27 |
| Complexity | 978.97064 |
Chemical Identifiers
| CAS Number | 314289-91-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Cl |
Product Overview
N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide (CAS 314289-91-3), with molecular formula C20H15ClFN3OS and molecular weight 399.06 g/mol. IUPAC: N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide.
Chemical Property Profile of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide
Property Insights of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide
The XLogP value of 5.5403 indicates that N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide?
The CAS number of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide is 314289-91-3.
What is the molecular formula of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide?
The molecular formula of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide is C20H15ClFN3OS.
What is the molecular weight of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide?
The molecular weight of N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide is 399.06 g/mol.
Where can I buy N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide?
You can request a quote for N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]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-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-3-[(4-fluorophenyl)carbamothioylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.