(5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one
TL;DR: (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one (CAS 162794-47-0) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-(hydroxymethylidene)-6,7-dihydro-1-benzofuran-4-one
Also Known As: 5-(hydroxymethylidene)-6,7-dihydrobenzofuran-4-one, (z)-6,7-dihydro-5-(hydroxymethylene)-4(5h)-benzofuranone, (5Z)-5-(HYDROXYMETHYLIDENE)-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-4-ONE, (5Z)-5-(hydroxymethylidene)-6,7-dihydro-1-benzofuran-4-one
Technical Specifications
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.04735 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04735 Da |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
| SMILES | C\1CC2=C(C=CO2)C(=O)/C1=C\O |
| InChIKey | WHMFVDUSQIAFIM-WAYWQWQTSA-N |
Chemical Property Profile of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one
Property Insights of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one. With a topological polar surface area (TPSA) of 50.4 Ų, (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-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
What is the CAS number of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one?
The CAS number of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one is 162794-47-0.
What is the molecular formula of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one?
The molecular formula of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one is C9H8O3.
What is the molecular weight of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one?
The molecular weight of (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one is 164.04735 g/mol.
Where can I buy (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one?
You can request a quote for (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one?
Yes, CoreyChem provides custom synthesis services for (5Z)-5-(Hydroxymethylidene)-4,5,6,7-tetrahydro-1-benzofuran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.