1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate
TL;DR: 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate (CAS 54390-94-2) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxy-2-phenylacetate
Also Known As: N-CBG cpd, N-Methyl-4-piperidylcyclobutylphenyl glycolate, N-Methyl-4-piperidyl cyclobutylphenylglycolate, 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate, Benzeneacetic acid, alpha-cyclobutyl-alpha-hydroxy-, 1-methyl-4-piperidinyl ester
| Molecular Formula | C18H25NO3 |
|---|---|
| Molecular Weight | 303.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.18344 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 54390-94-2 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C(C2CCC2)(C3=CC=CC=C3)O |
| InChIKey | LOBGXFLATZQVKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate (CAS 54390-94-2), with molecular formula C18H25NO3 and molecular weight 303.18 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate
Property Insights of 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate has 1 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 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate?
The CAS number of 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate is 54390-94-2.
What is the molecular formula of 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate?
The molecular formula of 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate is C18H25NO3.
What is the molecular weight of 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate?
The molecular weight of 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate is 303.18 g/mol.
Where can I buy 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate?
You can request a quote for 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-piperidinyl alpha-cyclobutyl-alpha-hydroxybenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.