2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-
TL;DR: 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- (CAS 64309-70-2) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethyl-2-oxochromen-7-yl) acetate
Also Known As: 3,4-dimethyl-2-oxo-2H-chromen-7-yl acetate, 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-, (3,4-dimethyl-2-oxochromen-7-yl) acetate, 7-acetoxy-3,4-dimethyl-chromen-2-one, BIM-0002021.P001
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.33514 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 652.25244 |
Chemical Identifiers
| CAS Number | 64309-70-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C)C |
Product Overview
2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- (CAS 64309-70-2), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: (3,4-dimethyl-2-oxochromen-7-yl) acetate.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-
Property Insights of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-
The XLogP value of 2.33514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-. With a topological polar surface area (TPSA) of 56.51 Ų, 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- has 0 hydrogen bond donor(s) and 4 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 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-?
The CAS number of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- is 64309-70-2.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- is C13H12O4.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- is 232.07 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.