Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
TL;DR: Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 66185-68-0) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 3-methylbutanoate
Also Known As: 7-isovaleryloxy-4-methyl-coumarin, 4-Methyl-2-oxo-2H-chromen-7-yl 3-methylbutanoate, (4-methyl-2-oxochromen-7-yl) 3-methylbutanoate, (4-methyl-2-oxo-chromen-7-yl) 3-methylbutanoate, Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 3.05292 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 667.3902 |
Chemical Identifiers
| CAS Number | 66185-68-0 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CC(C)C |
Product Overview
Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 66185-68-0), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
Property Insights of Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
The XLogP value of 3.05292 indicates that Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester 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 Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The CAS number of Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 66185-68-0.
What is the molecular formula of Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular formula of Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is C15H16O4.
What is the molecular weight of Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular weight of Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 260.10 g/mol.
Where can I buy Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
You can request a quote for Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.