(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate
TL;DR: (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate (CAS 879863-58-8) is a chemical compound with molecular formula C16H13NO4S and molecular weight 315.06 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 4-methoxybenzoate
Also Known As: (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate, (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-methoxybenzoate, [5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl 4-methoxybenzoate, F2496-0935
| Molecular Formula | C16H13NO4S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 3.7687 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.05652 |
| Heavy Atoms | 22 |
| Complexity | 746.816 |
Chemical Identifiers
| CAS Number | 879863-58-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3 |
Product Overview
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate (CAS 879863-58-8), with molecular formula C16H13NO4S and molecular weight 315.06 g/mol. IUPAC: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-methoxybenzoate.
Chemical Property Profile of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate
Property Insights of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate
The XLogP value of 3.7687 indicates that (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate. Following Lipinski's Rule of Five, (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 6 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 4-methoxybenzoate?
The CAS number of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate is 879863-58-8.
What is the molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate?
The molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate is C16H13NO4S.
What is the molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate?
The molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate is 315.06 g/mol.
Where can I buy (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate?
You can request a quote for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate 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 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.