7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one
TL;DR: 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one (CAS 52924-34-2) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-3-pyridin-3-ylchromen-7-yl) acetate
Also Known As: NCIOpen2_004278, (2-oxo-3-pyridin-3-ylchromen-7-yl) acetate, 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one, 2-Oxo-3-(pyridin-3-yl)-2H-chromen-7-yl acetate, J2.791.770D
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 52924-34-2 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CN=CC=C3 |
| InChIKey | XUCYZNVGWPYGKD-UHFFFAOYSA-N |
Product Overview
7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one (CAS 52924-34-2), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: (2-oxo-3-pyridin-3-ylchromen-7-yl) acetate.
Chemical Property Profile of 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one
Property Insights of 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one 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 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one?
The CAS number of 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one is 52924-34-2.
What is the molecular formula of 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one?
The molecular formula of 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one is C16H11NO4.
What is the molecular weight of 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one?
The molecular weight of 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one is 281.07 g/mol.
Where can I buy 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one?
You can request a quote for 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.