4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
TL;DR: 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one (CAS 61687-46-5) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Also Known As: 4-hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one, 4-Hydroxy-3-methylidenehexahydro-1-benzofuran-2(3H)-one
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 61687-46-5 |
|---|---|
| SMILES | C=C1C2C(CCCC2OC1=O)O |
| InChIKey | QWHBRQPFUKGDTK-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one (CAS 61687-46-5), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 4-hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one.
Chemical Property Profile of 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Property Insights of 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one has 1 hydrogen bond donor(s) and 3 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 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one?
The CAS number of 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one is 61687-46-5.
What is the molecular formula of 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one?
The molecular formula of 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one is C9H12O3.
What is the molecular weight of 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one?
The molecular weight of 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one is 168.08 g/mol.
Where can I buy 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one?
You can request a quote for 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-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 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.