3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate
TL;DR: 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate (CAS 224566-03-4) is a chemical compound with molecular formula C16H10ClNO3 and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenyl-1,2-oxazol-5-yl) 4-chlorobenzoate
Also Known As: 3-phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate, 3-phenyl-1,2-oxazol-5-yl 4-chlorobenzoate, (3-phenyl-1,2-oxazol-5-yl) 4-chlorobenzoate, 3-phenyl-1,2-oxazol-5-yl4-chlorobenzoate, J1.064.236A
| Molecular Formula | C16H10ClNO3 |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 4.2142 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0349 |
| Heavy Atoms | 21 |
| Complexity | 750.70795 |
Chemical Identifiers
| CAS Number | 224566-03-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate (CAS 224566-03-4), with molecular formula C16H10ClNO3 and molecular weight 299.03 g/mol. IUPAC: (3-phenyl-1,2-oxazol-5-yl) 4-chlorobenzoate.
Chemical Property Profile of 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate
Property Insights of 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate
The XLogP value of 4.2142 indicates that 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate has 0 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-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate?
The CAS number of 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate is 224566-03-4.
What is the molecular formula of 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate?
The molecular formula of 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate is C16H10ClNO3.
What is the molecular weight of 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate?
The molecular weight of 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate is 299.03 g/mol.
Where can I buy 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate?
You can request a quote for 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-isoxazolyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.