3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate
TL;DR: 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate (CAS 66933-10-6) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-1H-2-benzofuran-1-yl) 5-butoxypyridine-2-carboxylate
Also Known As: 3-Oxo-1-phthalanyl 5-butoxypicolinate, Picolinic acid, 5-butoxy-, 3-oxo-1-phthalanyl ester, 2-Pyridinecarboxylic acid, 5-butoxy-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate, (3-oxo-1H-2-benzofuran-1-yl) 5-butoxypyridine-2-carboxylate
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.2865 |
| Topological Polar Surface Area | 74.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 741.3293 |
Chemical Identifiers
| CAS Number | 66933-10-6 |
|---|---|
| SMILES | CCCCOC1=CN=C(C=C1)C(=O)OC2C3=CC=CC=C3C(=O)O2 |
Product Overview
3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate (CAS 66933-10-6), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: (3-oxo-1H-2-benzofuran-1-yl) 5-butoxypyridine-2-carboxylate.
Chemical Property Profile of 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate
Property Insights of 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate
The XLogP value of 3.2865 indicates that 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate 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 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate. Following Lipinski's Rule of Five, 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate 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 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate?
The CAS number of 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate is 66933-10-6.
What is the molecular formula of 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate?
The molecular formula of 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate is C18H17NO5.
What is the molecular weight of 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate?
The molecular weight of 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate is 327.11 g/mol.
Where can I buy 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate?
You can request a quote for 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.