5-Oct-1-ynylnicotinic acid
TL;DR: 5-Oct-1-ynylnicotinic acid (CAS 845266-29-7) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oct-1-ynylpyridine-3-carboxylic acid
Also Known As: 5-oct-1-ynylnicotinic acid, Maybridge1_004922, 2-Chloro-4-iodopyridine, 5-oct-1-ynylpyridine-3-carboxylic acid, 5-OCT-1-YNYLNICOTINICACID
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 3.1017 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 429.33862 |
Chemical Identifiers
| CAS Number | 845266-29-7 |
|---|---|
| SMILES | CCCCCCC#CC1=CC(=CN=C1)C(=O)O |
Product Overview
5-Oct-1-ynylnicotinic acid (CAS 845266-29-7), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 5-oct-1-ynylpyridine-3-carboxylic acid.
Chemical Property Profile of 5-Oct-1-ynylnicotinic acid
Property Insights of 5-Oct-1-ynylnicotinic acid
The XLogP value of 3.1017 indicates that 5-Oct-1-ynylnicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 5-Oct-1-ynylnicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oct-1-ynylnicotinic 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 5-Oct-1-ynylnicotinic acid?
The CAS number of 5-Oct-1-ynylnicotinic acid is 845266-29-7.
What is the molecular formula of 5-Oct-1-ynylnicotinic acid?
The molecular formula of 5-Oct-1-ynylnicotinic acid is C14H17NO2.
What is the molecular weight of 5-Oct-1-ynylnicotinic acid?
The molecular weight of 5-Oct-1-ynylnicotinic acid is 231.13 g/mol.
Where can I buy 5-Oct-1-ynylnicotinic acid?
You can request a quote for 5-Oct-1-ynylnicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oct-1-ynylnicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oct-1-ynylnicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.