Picolinic acid, 5-butoxy-, p-ethylphenyl ester
TL;DR: Picolinic acid, 5-butoxy-, p-ethylphenyl ester (CAS 74416-85-6) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylphenyl) 5-butoxypyridine-2-carboxylate
Also Known As: 5-Butoxypicolinic acid p-ethylphenyl ester, Picolinic acid, 5-butoxy-, p-ethylphenyl ester, 2-Pyridinecarboxylic acid, 5-butoxy-, 4-ethylphenyl ester, (4-ethylphenyl) 5-butoxypyridine-2-carboxylate, 4-ETHYLPHENYL 5-BUTOXYPYRIDINE-2-CARBOXYLATE
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 4.0421 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 590.73425 |
Chemical Identifiers
| CAS Number | 74416-85-6 |
|---|---|
| SMILES | CCCCOC1=CN=C(C=C1)C(=O)OC2=CC=C(C=C2)CC |
Product Overview
Picolinic acid, 5-butoxy-, p-ethylphenyl ester (CAS 74416-85-6), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: (4-ethylphenyl) 5-butoxypyridine-2-carboxylate.
Chemical Property Profile of Picolinic acid, 5-butoxy-, p-ethylphenyl ester
Property Insights of Picolinic acid, 5-butoxy-, p-ethylphenyl ester
The XLogP value of 4.0421 indicates that Picolinic acid, 5-butoxy-, p-ethylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, Picolinic acid, 5-butoxy-, p-ethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picolinic acid, 5-butoxy-, p-ethylphenyl ester has 0 hydrogen bond donor(s) and 4 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 Picolinic acid, 5-butoxy-, p-ethylphenyl ester?
The CAS number of Picolinic acid, 5-butoxy-, p-ethylphenyl ester is 74416-85-6.
What is the molecular formula of Picolinic acid, 5-butoxy-, p-ethylphenyl ester?
The molecular formula of Picolinic acid, 5-butoxy-, p-ethylphenyl ester is C18H21NO3.
What is the molecular weight of Picolinic acid, 5-butoxy-, p-ethylphenyl ester?
The molecular weight of Picolinic acid, 5-butoxy-, p-ethylphenyl ester is 299.15 g/mol.
Where can I buy Picolinic acid, 5-butoxy-, p-ethylphenyl ester?
You can request a quote for Picolinic acid, 5-butoxy-, p-ethylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picolinic acid, 5-butoxy-, p-ethylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Picolinic acid, 5-butoxy-, p-ethylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.