![2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide structure](/static/products/4256/425666-74-6.webp)
2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
TL;DR: 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide (CAS 425666-74-6) is a chemical compound with molecular formula C21H15ClFN3O2S and molecular weight 427.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
Also Known As: AB00107196-01, 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide, 2-chloro-N-[3-({[(3-fluorophenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
| Molecular Formula | C21H15ClFN3O2S |
|---|---|
| Molecular Weight | 427.06 g/mol |
| LogP | 4.8582 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.05576 |
| Heavy Atoms | 29 |
| Complexity | 1090.7811 |
Chemical Identifiers
| CAS Number | 425666-74-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F)Cl |
Product Overview
2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide (CAS 425666-74-6), with molecular formula C21H15ClFN3O2S and molecular weight 427.06 g/mol. IUPAC: 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide.
Chemical Property Profile of 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
Property Insights of 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
The XLogP value of 4.8582 indicates that 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide has 3 hydrogen bond donor(s) and 3 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 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide?
The CAS number of 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide is 425666-74-6.
What is the molecular formula of 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide?
The molecular formula of 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide is C21H15ClFN3O2S.
What is the molecular weight of 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide?
The molecular weight of 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide is 427.06 g/mol.
Where can I buy 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide?
You can request a quote for 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[3-[(3-fluorobenzoyl)carbamothioylamino]phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.