4,6-Dimethyl-2-benzopyrone
TL;DR: 4,6-Dimethyl-2-benzopyrone (CAS 14002-89-2) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethylchromen-2-one
Also Known As: 4,6-Dimethyl-2-benzopyrone, 4,6-dimethylcoumarin, 4,6-Dimethyl-2H-chromen-2-one, 4,6-dimethylchromen-2-one, 4,6-Dimethyl-2H-1-benzopyran-2-one
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 14002-89-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)C=C2C |
| InChIKey | VSSFMDMVOWSDBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethyl-2-benzopyrone (CAS 14002-89-2), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 4,6-dimethylchromen-2-one.
Chemical Property Profile of 4,6-Dimethyl-2-benzopyrone
Property Insights of 4,6-Dimethyl-2-benzopyrone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-benzopyrone. With a topological polar surface area (TPSA) of 26.3 Ų, 4,6-Dimethyl-2-benzopyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-benzopyrone has 0 hydrogen bond donor(s) and 2 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 4,6-Dimethyl-2-benzopyrone?
The CAS number of 4,6-Dimethyl-2-benzopyrone is 14002-89-2.
What is the molecular formula of 4,6-Dimethyl-2-benzopyrone?
The molecular formula of 4,6-Dimethyl-2-benzopyrone is C11H10O2.
What is the molecular weight of 4,6-Dimethyl-2-benzopyrone?
The molecular weight of 4,6-Dimethyl-2-benzopyrone is 174.07 g/mol.
Where can I buy 4,6-Dimethyl-2-benzopyrone?
You can request a quote for 4,6-Dimethyl-2-benzopyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-benzopyrone?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-benzopyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.