![3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate structure](/static/products/879/879914-94-0.png)
3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate
TL;DR: 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate (CAS 879914-94-0) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-yl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
Also Known As: 3-pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate, pyridin-3-yl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate, pyridin-3-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate, pyridin-3-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.35732 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 743.5195 |
Chemical Identifiers
| CAS Number | 879914-94-0 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CN=CC=C3 |
Product Overview
3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate (CAS 879914-94-0), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: pyridin-3-yl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate.
Chemical Property Profile of 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate
Property Insights of 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate
The XLogP value of 3.35732 indicates that 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate. Following Lipinski's Rule of Five, 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate has 0 hydrogen bond donor(s) and 5 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-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate?
The CAS number of 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate is 879914-94-0.
What is the molecular formula of 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate?
The molecular formula of 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate is C17H17NO4.
What is the molecular weight of 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate?
The molecular weight of 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate is 299.12 g/mol.
Where can I buy 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate?
You can request a quote for 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-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-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.