3,4-Dihydro-6-methylcoumarin
TL;DR: 3,4-Dihydro-6-methylcoumarin (CAS 92-47-7) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3,4-dihydrochromen-2-one
Also Known As: 6-Methylhydrocoumarin, 6-Methylchroman-2-one, 3,4-Dihydro-6-methylcoumarin, 6-Methyl-3,4-dihydrocoumarin, Hydrocoumarin, 6-methyl-
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 92-47-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)CC2 |
| InChIKey | TWAXWQHDMDUHDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-6-methylcoumarin (CAS 92-47-7), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 6-methyl-3,4-dihydrochromen-2-one.
Chemical Property Profile of 3,4-Dihydro-6-methylcoumarin
Property Insights of 3,4-Dihydro-6-methylcoumarin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-6-methylcoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Dihydro-6-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-6-methylcoumarin 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 3,4-Dihydro-6-methylcoumarin?
The CAS number of 3,4-Dihydro-6-methylcoumarin is 92-47-7.
What is the molecular formula of 3,4-Dihydro-6-methylcoumarin?
The molecular formula of 3,4-Dihydro-6-methylcoumarin is C10H10O2.
What is the molecular weight of 3,4-Dihydro-6-methylcoumarin?
The molecular weight of 3,4-Dihydro-6-methylcoumarin is 162.07 g/mol.
Where can I buy 3,4-Dihydro-6-methylcoumarin?
You can request a quote for 3,4-Dihydro-6-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-6-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-6-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.