5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid
TL;DR: 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid (CAS 175277-63-1) 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.
5-methyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid
Also Known As: 1H-Imidazole, 5-fluoro-, 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid, 5-methyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid, (2,4-Difluorophenylthio)acetonitrile, BAS 04307903
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.27212 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 377.61563 |
Chemical Identifiers
| CAS Number | 175277-63-1 |
|---|---|
| SMILES | CC1=C(C=C(O1)C(=O)O)CN2CCCCC2 |
Product Overview
5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid (CAS 175277-63-1), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 5-methyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid
Property Insights of 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid
The XLogP value of 2.27212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.68 Ų, 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid has 1 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 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid?
The CAS number of 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid is 175277-63-1.
What is the molecular formula of 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid?
The molecular formula of 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid is C12H17NO3.
What is the molecular weight of 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid?
The molecular weight of 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid is 223.12 g/mol.
Where can I buy 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid?
You can request a quote for 5-Methyl-4-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 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.