![N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide structure](/static/products/5932/593238-53-0.webp)
N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide
TL;DR: N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide (CAS 593238-53-0) is a chemical compound with molecular formula C21H13ClFN3O3S and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-chloro-4-fluorobenzamide
Also Known As: N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide, Benzamide,N-[[[3- -4-hydroxyphenyl]amino]thioxomethyl]-2-chloro-4-fluoro-, N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-chloro-4-fluorobenzamide, N-{[3-(1,3-Benzoxazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl}-2-chloro-4-fluorobenzamide, N-{[3-(1,3-Benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-chloro-4-fluorobenzamide
| Molecular Formula | C21H13ClFN3O3S |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | 5.1197 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.035 |
| Heavy Atoms | 30 |
| Complexity | 1258.7281 |
Chemical Identifiers
| CAS Number | 593238-53-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl)O |
Product Overview
N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide (CAS 593238-53-0), with molecular formula C21H13ClFN3O3S and molecular weight 441.04 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-chloro-4-fluorobenzamide.
Chemical Property Profile of N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide
Property Insights of N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide
The XLogP value of 5.1197 indicates that N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide. Following Lipinski's Rule of Five, N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide has 3 hydrogen bond donor(s) and 5 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-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide?
The CAS number of N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide is 593238-53-0.
What is the molecular formula of N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide?
The molecular formula of N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide is C21H13ClFN3O3S.
What is the molecular weight of N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide?
The molecular weight of N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide is 441.04 g/mol.
Where can I buy N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide?
You can request a quote for N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-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-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.