Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid
TL;DR: Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid (CAS 66970-10-3) is a chemical compound with molecular formula C17H25NO5 and molecular weight 323.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylbutanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
Also Known As: 5-Butoxypicolinic acid 1-hydroxyethyl ester ester with isovaleric acid, 2-Pyridinecarboxylic acid, 5-butoxy-, 1-(3-methyl-1-oxobutoxy)ethyl ester, Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid, 1-(3-methylbutanoyloxy)ethyl 5-butoxypyridine-2-carboxylate, 1-[(3-Methylbutanoyl)oxy]ethyl 5-butoxypyridine-2-carboxylate
| Molecular Formula | C17H25NO5 |
|---|---|
| Molecular Weight | 323.17 g/mol |
| LogP | 3.3526 |
| Topological Polar Surface Area | 74.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.17328 |
| Heavy Atoms | 23 |
| Complexity | 498.2101 |
Chemical Identifiers
| CAS Number | 66970-10-3 |
|---|---|
| SMILES | CCCCOC1=CN=C(C=C1)C(=O)OC(C)OC(=O)CC(C)C |
Product Overview
Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid (CAS 66970-10-3), with molecular formula C17H25NO5 and molecular weight 323.17 g/mol. IUPAC: 1-(3-methylbutanoyloxy)ethyl 5-butoxypyridine-2-carboxylate.
Chemical Property Profile of Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid
Property Insights of Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid
The XLogP value of 3.3526 indicates that Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid. Following Lipinski's Rule of Five, Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid has 0 hydrogen bond donor(s) and 6 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-, 1-hydroxyethyl ester, ester with isovaleric acid?
The CAS number of Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid is 66970-10-3.
What is the molecular formula of Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid?
The molecular formula of Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid is C17H25NO5.
What is the molecular weight of Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid?
The molecular weight of Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid is 323.17 g/mol.
Where can I buy Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid?
You can request a quote for Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid 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-, 1-hydroxyethyl ester, ester with isovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for Picolinic acid, 5-butoxy-, 1-hydroxyethyl ester, ester with isovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.