Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate
TL;DR: Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate (CAS 33492-34-1) is a chemical compound with molecular formula C17H26O3S and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-ditert-butylthiophen-3-yl)-4-oxobutanoate
Also Known As: ChemDiv3_000842, IDI1_019808, METHYL 4-(2,5-DI-TERT-BUTYLTHIOPHEN-3-YL)-4-OXOBUTANOATE, Methyl 4-(2,5-di-tert-butyl-3-thienyl)-4-oxobutanoate, Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate
| Molecular Formula | C17H26O3S |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.16028 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 33492-34-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(S1)C(C)(C)C)C(=O)CCC(=O)OC |
| InChIKey | FXXNYMXQPLYZMZ-UHFFFAOYSA-N |
Product Overview
Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate (CAS 33492-34-1), with molecular formula C17H26O3S and molecular weight 310.16 g/mol. IUPAC: methyl 4-(2,5-ditert-butylthiophen-3-yl)-4-oxobutanoate.
Chemical Property Profile of Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate
Property Insights of Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate
The XLogP value of 4.5 indicates that Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate. Following Lipinski's Rule of Five, Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate has 0 hydrogen bond donor(s) and 4 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 Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate?
The CAS number of Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate is 33492-34-1.
What is the molecular formula of Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate?
The molecular formula of Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate is C17H26O3S.
What is the molecular weight of Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate?
The molecular weight of Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate is 310.16 g/mol.
Where can I buy Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate?
You can request a quote for Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.