4-Methyl-7-(1-oxopropoxy)-2-benzopyrone
TL;DR: 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone (CAS 3361-13-5) 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.
(4-methyl-2-oxochromen-7-yl) propanoate
Also Known As: 4-METHYLUMBELLIFERYL PROPIONATE, 4-Mu-Propionate, 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone, 4-methyl-2-oxo-2H-chromen-7-yl propionate, (4-methyl-2-oxochromen-7-yl) propanoate
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 3361-13-5 |
|---|---|
| SMILES | CCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | IOKUIFTUULBXMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-7-(1-oxopropoxy)-2-benzopyrone (CAS 3361-13-5), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) propanoate.
Chemical Property Profile of 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone
Property Insights of 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone 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-7-(1-oxopropoxy)-2-benzopyrone?
The CAS number of 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone is 3361-13-5.
What is the molecular formula of 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone?
The molecular formula of 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone is C13H12O4.
What is the molecular weight of 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone?
The molecular weight of 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone is 232.07 g/mol.
Where can I buy 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone?
You can request a quote for 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.