6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin
TL;DR: 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin (CAS 77844-97-4) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
Also Known As: 6,8-DMD-isocoumarin, MEGxm0_000233, 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin, ACon0_001056, ACon1_001046
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.8052 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 425.2721 |
Chemical Identifiers
| CAS Number | 77844-97-4 |
|---|---|
| SMILES | CC1CC2=C(C(=CC(=C2)OC)OC)C(=O)O1 |
Product Overview
6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin (CAS 77844-97-4), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 6,8-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one.
Chemical Property Profile of 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin
Property Insights of 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin
The XLogP value of 1.8052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin. With a topological polar surface area (TPSA) of 44.76 Ų, 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin 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 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin?
The CAS number of 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin is 77844-97-4.
What is the molecular formula of 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin?
The molecular formula of 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin is C12H14O4.
What is the molecular weight of 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin?
The molecular weight of 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin is 222.09 g/mol.
Where can I buy 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin?
You can request a quote for 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dimethoxy-3-methyl-3,4-dihydroisocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.