(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate
TL;DR: (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate (CAS 879774-73-9) is a chemical compound with molecular formula C17H15NO5S and molecular weight 345.07 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 2,4-dimethoxybenzoate
Also Known As: F2496-0940, [5-(2-thienyl)-3-isoxazolyl]methyl 2,4-dianisate, [5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethoxybenzoate, (5-(thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate, (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate
| Molecular Formula | C17H15NO5S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 3.7773 |
| Topological Polar Surface Area | 70.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.0671 |
| Heavy Atoms | 24 |
| Complexity | 825.3858 |
Chemical Identifiers
| CAS Number | 879774-73-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)OC |
Product Overview
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate (CAS 879774-73-9), with molecular formula C17H15NO5S and molecular weight 345.07 g/mol. IUPAC: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate.
Chemical Property Profile of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate
Property Insights of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate
The XLogP value of 3.7773 indicates that (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate. Following Lipinski's Rule of Five, (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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 2,4-dimethoxybenzoate?
The CAS number of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate is 879774-73-9.
What is the molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate?
The molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate is C17H15NO5S.
What is the molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate?
The molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate is 345.07 g/mol.
Where can I buy (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate?
You can request a quote for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate 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 2,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.