5-庚基吡啶-2-甲酸
TL;DR: 5-庚基吡啶-2-甲酸 (CAS 54814-51-6) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-庚基吡啶-2-甲酸
5-heptylpyridine-2-carboxylic acid
Also Known As: 5-Heptylpicolinic acid, Picolinic acid, 5-heptyl-, 5-heptylpyridine-2-carboxylic acid, Picolinic acid,5-heptyl, 2-Pyridinecarboxylic acid, 5-heptyl-
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 54814-51-6 |
|---|---|
| SMILES | CCCCCCCC1=CN=C(C=C1)C(=O)O |
| InChIKey | RXWKVXFXMNGIIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-庚基吡啶-2-甲酸 (CAS 54814-51-6), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 5-heptylpyridine-2-carboxylic acid.
Chemical Property Profile of 5-庚基吡啶-2-甲酸
Property Insights of 5-庚基吡啶-2-甲酸
The XLogP value of 4.2 indicates that 5-庚基吡啶-2-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 5-庚基吡啶-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-庚基吡啶-2-甲酸 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-庚基吡啶-2-甲酸?
The CAS number of 5-庚基吡啶-2-甲酸 is 54814-51-6.
What is the molecular formula of 5-庚基吡啶-2-甲酸?
The molecular formula of 5-庚基吡啶-2-甲酸 is C13H19NO2.
What is the molecular weight of 5-庚基吡啶-2-甲酸?
The molecular weight of 5-庚基吡啶-2-甲酸 is 221.14 g/mol.
Where can I buy 5-庚基吡啶-2-甲酸?
You can request a quote for 5-庚基吡啶-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-庚基吡啶-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-庚基吡啶-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.