8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one
TL;DR: 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one (CAS 42391-68-4) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one
Also Known As: 8a-ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one, 8a-Ethenyl-4-methylideneoctahydro-3H-2-benzopyran-3-one
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 42391-68-4 |
|---|---|
| SMILES | C=CC12CCCCC1C(=C)C(=O)OC2 |
| InChIKey | DUVAMNCICWWNJV-UHFFFAOYSA-N |
Product Overview
8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one (CAS 42391-68-4), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 8a-ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one.
Chemical Property Profile of 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one
Property Insights of 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one
The XLogP value of 3.2 indicates that 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-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, 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-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 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one?
The CAS number of 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one is 42391-68-4.
What is the molecular formula of 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one?
The molecular formula of 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one is C12H16O2.
What is the molecular weight of 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one?
The molecular weight of 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one is 192.12 g/mol.
Where can I buy 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one?
You can request a quote for 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-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 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 8a-Ethenyl-4-methylidene-1,4a,5,6,7,8-hexahydroisochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.