1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate
TL;DR: 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate (CAS 63917-18-0) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.1242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
Also Known As: JB 330, 1-Methyl-3-piperidyl-alpha-(2-thienyl)mandelate, 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate, MANDELIC ACID, alpha-(2-THIENYL)-, 1-METHYL-3-PIPERIDYL ESTER, (1-methylpiperidin-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
Technical Specifications
| Molecular Formula | C18H21NO3S |
| Molecular Weight | 331.1242 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 78.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1242 Da |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
| SMILES | CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O |
| InChIKey | MZZQSAPGRDBPFR-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate
Property Insights of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate
The XLogP value of 3.0 indicates that 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate. Following Lipinski's Rule of Five, 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate?
The CAS number of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate is 63917-18-0.
What is the molecular formula of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate?
The molecular formula of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate is C18H21NO3S.
What is the molecular weight of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate?
The molecular weight of 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate is 331.1242 g/mol.
Where can I buy 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate?
You can request a quote for 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate?
Yes, CoreyChem provides custom synthesis services for 1-Methylpiperidin-3-yl hydroxy(phenyl)(thiophen-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.