(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
TL;DR: (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate (CAS 946286-72-2) is a chemical compound with molecular formula C18H17NO4S and molecular weight 343.09 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 3-(4-methoxyphenyl)propanoate
Also Known As: F2496-1040, (5-(thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate, (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate, [5-(2-thienyl)-3-isoxazolyl]methyl 3-(p-methoxyphenyl)propionate
| Molecular Formula | C18H17NO4S |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 4.0877 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.08783 |
| Heavy Atoms | 24 |
| Complexity | 777.7239 |
Chemical Identifiers
| CAS Number | 946286-72-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCC(=O)OCC2=NOC(=C2)C3=CC=CS3 |
Product Overview
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate (CAS 946286-72-2), with molecular formula C18H17NO4S and molecular weight 343.09 g/mol. IUPAC: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
Property Insights of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
The XLogP value of 4.0877 indicates that (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate 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 3-(4-methoxyphenyl)propanoate. Following Lipinski's Rule of Five, (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate 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 3-(4-methoxyphenyl)propanoate?
The CAS number of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate is 946286-72-2.
What is the molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate?
The molecular formula of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate is C18H17NO4S.
What is the molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate?
The molecular weight of (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate is 343.09 g/mol.
Where can I buy (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate?
You can request a quote for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate 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 3-(4-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.