![2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide structure](/static/products/5932/593238-84-7.webp)
2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
TL;DR: 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide (CAS 593238-84-7) is a chemical compound with molecular formula C21H12Cl2FN3O2S and molecular weight 459.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide, 2-chloro-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide, Benzamide,2-chloro-N-[[[4- phenyl]amino]thioxomethyl]-4-fluoro-, 2-Chloro-N-((4-(5-chlorobenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-4-fluorobenzamide, 2-chloro-N-[[4-(5-chlorobenzooxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide
| Molecular Formula | C21H12Cl2FN3O2S |
|---|---|
| Molecular Weight | 459.00 g/mol |
| LogP | 6.0675 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.00113 |
| Heavy Atoms | 30 |
| Complexity | 1275.233 |
Chemical Identifiers
| CAS Number | 593238-84-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl |
Product Overview
2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide (CAS 593238-84-7), with molecular formula C21H12Cl2FN3O2S and molecular weight 459.00 g/mol. IUPAC: 2-chloro-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
Property Insights of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
The XLogP value of 6.0675 indicates that 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
The CAS number of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide is 593238-84-7.
What is the molecular formula of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
The molecular formula of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide is C21H12Cl2FN3O2S.
What is the molecular weight of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
The molecular weight of 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide is 459.00 g/mol.
Where can I buy 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
You can request a quote for 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]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 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.