7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
TL;DR: 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one (CAS 15210-14-7) 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.
7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
Also Known As: J1.914.479H, 7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one, 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one, 3-Methyl-7a-hydroxy-2,4,5,6,7,7a-hexahydrobenzofuran-2-one, (RS)-3-methyl-7a-hydroxy-4,5,6,7-tetrahydro-7aH-benzofuran-2-one
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.7 |
| 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 | 267.0 |
Chemical Identifiers
| CAS Number | 15210-14-7 |
|---|---|
| SMILES | CC1=C2CCCCC2(OC1=O)O |
| InChIKey | FDOKOSVBJIGECW-UHFFFAOYSA-N |
Product Overview
7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one (CAS 15210-14-7), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one.
Chemical Property Profile of 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
Property Insights of 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one. With a topological polar surface area (TPSA) of 46.5 Ų, 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-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 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one?
The CAS number of 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one is 15210-14-7.
What is the molecular formula of 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one?
The molecular formula of 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one is C9H12O3.
What is the molecular weight of 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one?
The molecular weight of 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one is 168.08 g/mol.
Where can I buy 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one?
You can request a quote for 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7a-Hydroxy-3-methyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.