(5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate
TL;DR: (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate (CAS 343374-57-2) is a chemical compound with molecular formula C17H11Cl2NO3 and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-phenyl-1,2-oxazol-3-yl)methyl 3,4-dichlorobenzoate
Also Known As: (5-phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate, (5-phenyl-1,2-oxazol-3-yl)methyl 3,4-dichlorobenzoate, 6N-658S, (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzoate, (5-phenylisoxazol-3-yl)methyl 3,4-dichlorobenzoate
| Molecular Formula | C17H11Cl2NO3 |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 5.0054 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0116 |
| Heavy Atoms | 23 |
| Complexity | 830.8647 |
Chemical Identifiers
| CAS Number | 343374-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
(5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate (CAS 343374-57-2), with molecular formula C17H11Cl2NO3 and molecular weight 347.01 g/mol. IUPAC: (5-phenyl-1,2-oxazol-3-yl)methyl 3,4-dichlorobenzoate.
Chemical Property Profile of (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate
Property Insights of (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate
The XLogP value of 5.0054 indicates that (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate has 0 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 (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate?
The CAS number of (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate is 343374-57-2.
What is the molecular formula of (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate?
The molecular formula of (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate is C17H11Cl2NO3.
What is the molecular weight of (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate?
The molecular weight of (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate is 347.01 g/mol.
Where can I buy (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate?
You can request a quote for (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenyl-3-isoxazolyl)methyl 3,4-dichlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.