4-Methyl-2-oxo-2h-chromen-7-yl valerate
TL;DR: 4-Methyl-2-oxo-2h-chromen-7-yl valerate (CAS 6335-35-9) 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) pentanoate
Also Known As: 4-methyl-2-oxo-2H-chromen-7-yl pentanoate, 4-methyl-2-oxo-2h-chromen-7-yl valerate, 4-methyl-7-valeryloxy-coumarin, (4-methyl-2-oxochromen-7-yl) pentanoate, 4-METHYLUMBELLIFERYL PENTANOATE
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 6335-35-9 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | KCKLBBMONJISPQ-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-oxo-2h-chromen-7-yl valerate (CAS 6335-35-9), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) pentanoate.
Chemical Property Profile of 4-Methyl-2-oxo-2h-chromen-7-yl valerate
Property Insights of 4-Methyl-2-oxo-2h-chromen-7-yl valerate
The XLogP value of 3.4 indicates that 4-Methyl-2-oxo-2h-chromen-7-yl valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methyl-2-oxo-2h-chromen-7-yl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-oxo-2h-chromen-7-yl valerate 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 4-Methyl-2-oxo-2h-chromen-7-yl valerate?
The CAS number of 4-Methyl-2-oxo-2h-chromen-7-yl valerate is 6335-35-9.
What is the molecular formula of 4-Methyl-2-oxo-2h-chromen-7-yl valerate?
The molecular formula of 4-Methyl-2-oxo-2h-chromen-7-yl valerate is C15H16O4.
What is the molecular weight of 4-Methyl-2-oxo-2h-chromen-7-yl valerate?
The molecular weight of 4-Methyl-2-oxo-2h-chromen-7-yl valerate is 260.10 g/mol.
Where can I buy 4-Methyl-2-oxo-2h-chromen-7-yl valerate?
You can request a quote for 4-Methyl-2-oxo-2h-chromen-7-yl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-oxo-2h-chromen-7-yl valerate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxo-2h-chromen-7-yl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.