Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate
TL;DR: Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate (CAS 88826-72-6) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 3-phenyl-3-piperidin-1-ylpropanoate
Also Known As: BUTAN-2-YL 3-PHENYL-3-(PIPERIDIN-1-YL)PROPANOATE, butan-2-yl 3-phenyl-3-piperidin-1-ylpropanoate
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 88826-72-6 |
|---|---|
| SMILES | CCC(C)OC(=O)CC(C1=CC=CC=C1)N2CCCCC2 |
| InChIKey | CQLCJFCUAHKNIE-UHFFFAOYSA-N |
Product Overview
Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate (CAS 88826-72-6), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: butan-2-yl 3-phenyl-3-piperidin-1-ylpropanoate.
Chemical Property Profile of Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate
Property Insights of Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate
The XLogP value of 3.8 indicates that Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate has 0 hydrogen bond donor(s) and 3 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 Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate?
The CAS number of Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate is 88826-72-6.
What is the molecular formula of Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate?
The molecular formula of Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate is C18H27NO2.
What is the molecular weight of Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate?
The molecular weight of Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate is 289.20 g/mol.
Where can I buy Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate?
You can request a quote for Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.