3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
TL;DR: 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid (CAS 462068-63-9) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
Also Known As: 3-methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid, 3-methyl-5-(1-piperidinylmethyl)-2-furoic acid, AE-641/14883026, 3-Methyl-5-(1-piperidinylmethyl)-2-furancarboxylic acid, 3-methyl-5-(1-piperidylmethyl)furan-2-carboxylic Acid
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 462068-63-9 |
|---|---|
| SMILES | CC1=C(OC(=C1)CN2CCCCC2)C(=O)O |
| InChIKey | JTOFFXKPINLCFU-UHFFFAOYSA-N |
Product Overview
3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid (CAS 462068-63-9), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 3-methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid.
Chemical Property Profile of 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
Property Insights of 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
The XLogP value of -0.4 indicates that 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.7 Ų, 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-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 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
The CAS number of 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid is 462068-63-9.
What is the molecular formula of 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
The molecular formula of 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid is C12H17NO3.
What is the molecular weight of 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
The molecular weight of 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid is 223.12 g/mol.
Where can I buy 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
You can request a quote for 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.