4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one
TL;DR: 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one (CAS 56247-19-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one
Also Known As: 4a-methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one, 4a-Methyl-4-methylideneoctahydro-3H-2-benzopyran-3-one, 3H-2-benzopyran-3-one,octahydro-4a-methyl-4-methylene-, cis-(9ci)
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 56247-19-9 |
|---|---|
| SMILES | CC12CCCCC1COC(=O)C2=C |
| InChIKey | QXHAUVPEFZXOAC-UHFFFAOYSA-N |
Product Overview
4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one (CAS 56247-19-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 4a-methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one.
Chemical Property Profile of 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one
Property Insights of 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one
The XLogP value of 3.1 indicates that 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one 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 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one?
The CAS number of 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one is 56247-19-9.
What is the molecular formula of 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one?
The molecular formula of 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one is C11H16O2.
What is the molecular weight of 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one?
The molecular weight of 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one is 180.12 g/mol.
Where can I buy 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one?
You can request a quote for 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4a-Methyl-4-methylidene-1,5,6,7,8,8a-hexahydroisochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.