2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid
TL;DR: 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid (CAS 68958-51-0) is a chemical compound with molecular formula C21H37NO3 and molecular weight 351.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid
Also Known As: 1-Piperidinebutanoic acid, .beta.-dodecenyl-.gamma.-oxo-
| Molecular Formula | C21H37NO3 |
|---|---|
| Molecular Weight | 351.28 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 351.27734 |
| Heavy Atoms | 25 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 68958-51-0 |
|---|---|
| SMILES | CCCCCC=CCCCCCC(CN1CCCCC1)C(=O)C(=O)O |
| InChIKey | OAGDICJAJXBCLR-UHFFFAOYSA-N |
Product Overview
2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid (CAS 68958-51-0), with molecular formula C21H37NO3 and molecular weight 351.28 g/mol. IUPAC: 2-oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid.
Chemical Property Profile of 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid
Property Insights of 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid
The XLogP value of 3.6 indicates that 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid 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 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid?
The CAS number of 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid is 68958-51-0.
What is the molecular formula of 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid?
The molecular formula of 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid is C21H37NO3.
What is the molecular weight of 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid?
The molecular weight of 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid is 351.28 g/mol.
Where can I buy 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid?
You can request a quote for 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.