Isonicotinic acid, pentyl ester
TL;DR: Isonicotinic acid, pentyl ester (CAS 77237-03-7) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl pyridine-4-carboxylate
Also Known As: pentyl isonicotinate, Isonicotinic acid, pentyl ester, pentyl pyridine-4-carboxylate, Isonicotinic acid pentyl ester, Isonicotinsaeure-pentylester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 77237-03-7 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=NC=C1 |
| InChIKey | MZHSESFNXADKBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isonicotinic acid, pentyl ester (CAS 77237-03-7), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: pentyl pyridine-4-carboxylate.
Chemical Property Profile of Isonicotinic acid, pentyl ester
Property Insights of Isonicotinic acid, pentyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinic acid, pentyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, Isonicotinic acid, pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, pentyl ester has 0 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 Isonicotinic acid, pentyl ester?
The CAS number of Isonicotinic acid, pentyl ester is 77237-03-7.
What is the molecular formula of Isonicotinic acid, pentyl ester?
The molecular formula of Isonicotinic acid, pentyl ester is C11H15NO2.
What is the molecular weight of Isonicotinic acid, pentyl ester?
The molecular weight of Isonicotinic acid, pentyl ester is 193.11 g/mol.
Where can I buy Isonicotinic acid, pentyl ester?
You can request a quote for Isonicotinic acid, pentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinic acid, pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.