2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate
TL;DR: 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate (CAS 454426-11-0) is a chemical compound with molecular formula C17H23NO4S and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
Also Known As: 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate, 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl I(3)-oxo-2-thiophenebutanoate, [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate, 2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl 4-oxo-4-(thiophen-2-yl)butanoate, RefChem:251291
| Molecular Formula | C17H23NO4S |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 2.7587 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.13477 |
| Heavy Atoms | 23 |
| Complexity | 544.9494 |
Chemical Identifiers
| CAS Number | 454426-11-0 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)COC(=O)CCC(=O)C2=CC=CS2)C |
Product Overview
2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate (CAS 454426-11-0), with molecular formula C17H23NO4S and molecular weight 337.13 g/mol. IUPAC: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
Chemical Property Profile of 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate
Property Insights of 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate
The XLogP value of 2.7587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate. Following Lipinski's Rule of Five, 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate has 0 hydrogen bond donor(s) and 5 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 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate?
The CAS number of 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate is 454426-11-0.
What is the molecular formula of 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate?
The molecular formula of 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate is C17H23NO4S.
What is the molecular weight of 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate?
The molecular weight of 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate is 337.13 g/mol.
Where can I buy 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate?
You can request a quote for 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.