2-Methyl-3-(1-piperidinyl)benzoic Acid
TL;DR: 2-Methyl-3-(1-piperidinyl)benzoic Acid (CAS 886501-22-0) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-piperidin-1-ylbenzoic acid
Also Known As: 2-Methyl-3-(1-piperidinyl)benzoic Acid, 2-Methyl-3-piperidin-1-yl-benzoic acid, 2-methyl-3-piperidin-1-ylbenzoic acid, 2-methyl-3-piperidylbenzoic acid, 2-methyl-3-(piperidin-1-yl)benzoic acid
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.68352 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 394.9191 |
Chemical Identifiers
| CAS Number | 886501-22-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1N2CCCCC2)C(=O)O |
Product Overview
2-Methyl-3-(1-piperidinyl)benzoic Acid (CAS 886501-22-0), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 2-methyl-3-piperidin-1-ylbenzoic acid.
Chemical Property Profile of 2-Methyl-3-(1-piperidinyl)benzoic Acid
Property Insights of 2-Methyl-3-(1-piperidinyl)benzoic Acid
The XLogP value of 2.68352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-(1-piperidinyl)benzoic Acid. With a topological polar surface area (TPSA) of 40.54 Ų, 2-Methyl-3-(1-piperidinyl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(1-piperidinyl)benzoic Acid has 1 hydrogen bond donor(s) and 2 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-Methyl-3-(1-piperidinyl)benzoic Acid?
The CAS number of 2-Methyl-3-(1-piperidinyl)benzoic Acid is 886501-22-0.
What is the molecular formula of 2-Methyl-3-(1-piperidinyl)benzoic Acid?
The molecular formula of 2-Methyl-3-(1-piperidinyl)benzoic Acid is C13H17NO2.
What is the molecular weight of 2-Methyl-3-(1-piperidinyl)benzoic Acid?
The molecular weight of 2-Methyl-3-(1-piperidinyl)benzoic Acid is 219.13 g/mol.
Where can I buy 2-Methyl-3-(1-piperidinyl)benzoic Acid?
You can request a quote for 2-Methyl-3-(1-piperidinyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(1-piperidinyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(1-piperidinyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.