Isopilosine
TL;DR: Isopilosine (CAS 2906-42-5) is a chemical compound with molecular formula C6H5NO2 and molecular weight 125.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridine-3-carboxylic acid
Also Known As: Isopilosine, nicotinic acid, Pyridine-3-carboxylic acid, 3-pyridinecarboxylic acid, 3-(14C)Carboxypyridine
| Molecular Formula | C6H5NO2 |
|---|---|
| Molecular Weight | 125.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.03527 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 2906-42-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)[14C](=O)O |
| InChIKey | PVNIIMVLHYAWGP-ZQBYOMGUSA-N |
Product Overview
Isopilosine (CAS 2906-42-5), with molecular formula C6H5NO2 and molecular weight 125.04 g/mol. IUPAC: pyridine-3-carboxylic acid.
Chemical Property Profile of Isopilosine
Property Insights of Isopilosine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopilosine. With a topological polar surface area (TPSA) of 50.2 Ų, Isopilosine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopilosine 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 Isopilosine?
The CAS number of Isopilosine is 2906-42-5.
What is the molecular formula of Isopilosine?
The molecular formula of Isopilosine is C6H5NO2.
What is the molecular weight of Isopilosine?
The molecular weight of Isopilosine is 125.04 g/mol.
Where can I buy Isopilosine?
You can request a quote for Isopilosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopilosine?
Yes, KEHONG BIO provides custom synthesis services for Isopilosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.