5,7-Dimethylcoumarin
TL;DR: 5,7-Dimethylcoumarin (CAS 14002-99-4) 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.
5,7-dimethylchromen-2-one
Also Known As: 5,7-Dimethylcoumarin, 5,7-dimethyl-2H-chromen-2-one, 5,7-Dimethyl-2H-1-benzopyran-2-one, 5,7-dimethylchromen-2-one, COUMARIN, 5,7-DIMETHYL-
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.6 |
| 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 | 244.0 |
Chemical Identifiers
| CAS Number | 14002-99-4 |
|---|---|
| SMILES | CC1=CC(=C2C=CC(=O)OC2=C1)C |
| InChIKey | LSVVSAUXNLDZOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,7-Dimethylcoumarin (CAS 14002-99-4), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 5,7-dimethylchromen-2-one.
Chemical Property Profile of 5,7-Dimethylcoumarin
Property Insights of 5,7-Dimethylcoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethylcoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 5,7-Dimethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethylcoumarin 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 5,7-Dimethylcoumarin?
The CAS number of 5,7-Dimethylcoumarin is 14002-99-4.
What is the molecular formula of 5,7-Dimethylcoumarin?
The molecular formula of 5,7-Dimethylcoumarin is C11H10O2.
What is the molecular weight of 5,7-Dimethylcoumarin?
The molecular weight of 5,7-Dimethylcoumarin is 174.07 g/mol.
Where can I buy 5,7-Dimethylcoumarin?
You can request a quote for 5,7-Dimethylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.