1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-
TL;DR: 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- (CAS 62536-83-8) is a chemical compound with molecular formula C19H14O6 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-1-oxo-4-phenylisochromen-7-yl) acetate
Also Known As: 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-, 5,7-dimethoxy-4-phenyl-isochromen-1-one, 1-oxo-4-phenyl-1H-isochromene-5,7-diyl diacetate, (5-acetyloxy-1-oxo-4-phenylisochromen-7-yl) acetate, 1-Oxo-4-phenyl-1H-2-benzopyran-5,7-diyl diacetate
| Molecular Formula | C19H14O6 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.07904 |
| Heavy Atoms | 25 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 62536-83-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=COC2=O)C3=CC=CC=C3 |
| InChIKey | RVPNPQFIPNDLNO-UHFFFAOYSA-N |
Product Overview
1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- (CAS 62536-83-8), with molecular formula C19H14O6 and molecular weight 338.08 g/mol. IUPAC: (5-acetyloxy-1-oxo-4-phenylisochromen-7-yl) acetate.
Chemical Property Profile of 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-
Property Insights of 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-. Following Lipinski's Rule of Five, 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- 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 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-?
The CAS number of 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- is 62536-83-8.
What is the molecular formula of 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-?
The molecular formula of 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- is C19H14O6.
What is the molecular weight of 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-?
The molecular weight of 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- is 338.08 g/mol.
Where can I buy 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-?
You can request a quote for 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-benzopyran-1-one, 5,7-bis(acetyloxy)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.