5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid
TL;DR: 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid (CAS 893749-90-1) is a chemical compound with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
Also Known As: 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid, 5-[(piperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid, 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid, 5-(1-piperidylmethyl)-1,2-oxazole-3-carboxylic Acid
| Molecular Formula | C10H14N2O3 |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 1.3587 |
| Topological Polar Surface Area | 66.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.10045 |
| Heavy Atoms | 15 |
| Complexity | 342.19162 |
Chemical Identifiers
| CAS Number | 893749-90-1 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=NO2)C(=O)O |
Product Overview
5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid (CAS 893749-90-1), with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol. IUPAC: 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid
Property Insights of 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid
The XLogP value of 1.3587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid. The TPSA of 66.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic 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 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid?
The CAS number of 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid is 893749-90-1.
What is the molecular formula of 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid?
The molecular formula of 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid is C10H14N2O3.
What is the molecular weight of 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid?
The molecular weight of 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid is 210.10 g/mol.
Where can I buy 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid?
You can request a quote for 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.