Picolinic acid, 5-butoxy-, 5-indanyl ester
TL;DR: Picolinic acid, 5-butoxy-, 5-indanyl ester (CAS 72133-55-2) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1H-inden-5-yl 5-butoxypyridine-2-carboxylate
Also Known As: 5-Indanyl 5-butoxypicolinate, Picolinic acid, 5-butoxy-, 5-indanyl ester, 2,3-dihydro-1H-inden-5-yl 5-butoxypyridine-2-carboxylate, 2-Pyridinecarboxylic acid, 5-butoxy-, 2,3-dihydro-1H-inden-5-yl ester, 2,3-dihydro-1H-inden-5-yl5-butoxypyridine-2-carboxylate
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.9684 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 679.5141 |
Chemical Identifiers
| CAS Number | 72133-55-2 |
|---|---|
| SMILES | CCCCOC1=CN=C(C=C1)C(=O)OC2=CC3=C(CCC3)C=C2 |
Product Overview
Picolinic acid, 5-butoxy-, 5-indanyl ester (CAS 72133-55-2), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: 2,3-dihydro-1H-inden-5-yl 5-butoxypyridine-2-carboxylate.
Chemical Property Profile of Picolinic acid, 5-butoxy-, 5-indanyl ester
Property Insights of Picolinic acid, 5-butoxy-, 5-indanyl ester
The XLogP value of 3.9684 indicates that Picolinic acid, 5-butoxy-, 5-indanyl 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-, 5-indanyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picolinic acid, 5-butoxy-, 5-indanyl 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-, 5-indanyl ester?
The CAS number of Picolinic acid, 5-butoxy-, 5-indanyl ester is 72133-55-2.
What is the molecular formula of Picolinic acid, 5-butoxy-, 5-indanyl ester?
The molecular formula of Picolinic acid, 5-butoxy-, 5-indanyl ester is C19H21NO3.
What is the molecular weight of Picolinic acid, 5-butoxy-, 5-indanyl ester?
The molecular weight of Picolinic acid, 5-butoxy-, 5-indanyl ester is 311.15 g/mol.
Where can I buy Picolinic acid, 5-butoxy-, 5-indanyl ester?
You can request a quote for Picolinic acid, 5-butoxy-, 5-indanyl 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-, 5-indanyl ester?
Yes, KEHONG BIO provides custom synthesis services for Picolinic acid, 5-butoxy-, 5-indanyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.