![3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide structure](/static/products/5367/536725-52-7.webp)
3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
TL;DR: 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide (CAS 536725-52-7) is a chemical compound with molecular formula C18H13ClFN3O2S and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide, 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-(2-fluorophenyl)thiourea, 3-(2-chlorophenyl)-N-((2-fluorophenyl)carbamothioyl)-5-methylisoxazole-4-carboxamide, [3-(o-chlorophenyl)-5-methyl-4-isoxazolyl][3-(o-fluorophenyl)thioureido]methanone, 3-(2-chlorophenyl)-N-{[(2-fluorophenyl)amino]carbonothioyl}-5-methyl-4-isoxazolecarboxamide
| Molecular Formula | C18H13ClFN3O2S |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 4.56932 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.0401 |
| Heavy Atoms | 26 |
| Complexity | 990.0725 |
Chemical Identifiers
| CAS Number | 536725-52-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=CC=C3F |
Product Overview
3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide (CAS 536725-52-7), with molecular formula C18H13ClFN3O2S and molecular weight 389.04 g/mol. IUPAC: 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
Property Insights of 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
The XLogP value of 4.56932 indicates that 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide 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 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide 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 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide?
The CAS number of 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide is 536725-52-7.
What is the molecular formula of 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide?
The molecular formula of 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide is C18H13ClFN3O2S.
What is the molecular weight of 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide?
The molecular weight of 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide is 389.04 g/mol.
Where can I buy 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide?
You can request a quote for 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-N-[(2-fluorophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.