4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate
TL;DR: 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate (CAS 663193-46-2) is a chemical compound with molecular formula C21H15NO4 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-2-phenyl-4a,8a-dihydrochromen-3-yl) pyridine-3-carboxylate
Also Known As: 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate, AA-504/36392049, (4-oxo-2-phenyl-4a,8a-dihydrochromen-3-yl) Pyridine-3-carboxylate, 4-oxo-2-phenyl-4a,8a-dihydro-4H-chromen-3-yl nicotinate, 4-Oxo-2-phenyl-4a,8a-dihydro-4H-1-benzopyran-3-yl pyridine-3-carboxylate
| Molecular Formula | C21H15NO4 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 3.3173 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1001 |
| Heavy Atoms | 26 |
| Complexity | 928.99817 |
Chemical Identifiers
| CAS Number | 663193-46-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)C3C=CC=CC3O2)OC(=O)C4=CN=CC=C4 |
Product Overview
4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate (CAS 663193-46-2), with molecular formula C21H15NO4 and molecular weight 345.10 g/mol. IUPAC: (4-oxo-2-phenyl-4a,8a-dihydrochromen-3-yl) pyridine-3-carboxylate.
Chemical Property Profile of 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate
Property Insights of 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate
The XLogP value of 3.3173 indicates that 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate. Following Lipinski's Rule of Five, 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate 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 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate?
The CAS number of 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate is 663193-46-2.
What is the molecular formula of 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate?
The molecular formula of 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate is C21H15NO4.
What is the molecular weight of 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate?
The molecular weight of 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate is 345.10 g/mol.
Where can I buy 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate?
You can request a quote for 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4a,8a-Dihydro-4-oxo-2-phenyl-4H-1-benzopyran-3-yl 3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.