3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one
TL;DR: 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one (CAS 60916-75-8) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one
Also Known As: 3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one, 3-Methylidene-3a,4,5,7a-tetrahydrobenzofuran-2-one, 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2(3H)-one
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 60916-75-8 |
|---|---|
| SMILES | C=C1C2CCC=CC2OC1=O |
| InChIKey | OWXXTXZKQXMYEX-UHFFFAOYSA-N |
Product Overview
3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one (CAS 60916-75-8), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one.
Chemical Property Profile of 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one
Property Insights of 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-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 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one?
The CAS number of 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one is 60916-75-8.
What is the molecular formula of 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one?
The molecular formula of 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one is C9H10O2.
What is the molecular weight of 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one?
The molecular weight of 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one is 150.07 g/mol.
Where can I buy 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one?
You can request a quote for 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.