![Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate structure](/static/products/3390/339019-87-3.webp)
Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate
TL;DR: Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate (CAS 339019-87-3) is a chemical compound with molecular formula C16H11Cl2NO4S and molecular weight 382.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methoxy]thiophene-2-carboxylate
Also Known As: Bionet1_003160, 7N-674S, methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate, methyl 3-[[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methoxy]thiophene-2-carboxylate, methyl 3-{[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methoxy}thiophene-2-carboxylate
| Molecular Formula | C16H11Cl2NO4S |
|---|---|
| Molecular Weight | 382.98 g/mol |
| LogP | 5.0755 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.97858 |
| Heavy Atoms | 24 |
| Complexity | 874.597 |
Chemical Identifiers
| CAS Number | 339019-87-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)OCC2=NOC(=C2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate (CAS 339019-87-3), with molecular formula C16H11Cl2NO4S and molecular weight 382.98 g/mol. IUPAC: methyl 3-[[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methoxy]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate
Property Insights of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate
The XLogP value of 5.0755 indicates that Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate 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 Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate?
The CAS number of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate is 339019-87-3.
What is the molecular formula of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate?
The molecular formula of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate is C16H11Cl2NO4S.
What is the molecular weight of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate?
The molecular weight of Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate is 382.98 g/mol.
Where can I buy Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate?
You can request a quote for Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[5-(3,4-dichlorophenyl)-3-isoxazolyl]methoxy}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.