(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
TL;DR: (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate (CAS 879728-25-3) is a chemical compound with molecular formula C15H9F2NO3S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
Also Known As: (5-(thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate, (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate, [5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate, F2496-0957
| Molecular Formula | C15H9F2NO3S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 4.0383 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.02713 |
| Heavy Atoms | 22 |
| Complexity | 778.7378 |
Chemical Identifiers
| CAS Number | 879728-25-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OCC2=NOC(=C2)C3=CC=CS3)F |
Product Overview
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate (CAS 879728-25-3), with molecular formula C15H9F2NO3S and molecular weight 321.03 g/mol. IUPAC: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate.
Chemical Property Profile of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
Property Insights of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
The XLogP value of 4.0383 indicates that (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate 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-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate has 0 hydrogen bond donor(s) and 5 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 (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate?
The CAS number of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate is 879728-25-3.
What is the molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate?
The molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate is C15H9F2NO3S.
What is the molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate?
The molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate is 321.03 g/mol.
Where can I buy (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate?
You can request a quote for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.