8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one
TL;DR: 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one (CAS 52842-47-4) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one
Also Known As: Columbianetin, (+)-columbianetin, Dihydrooroselol, (S)-Columbianetin, (+-)-columbianetin
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 52842-47-4 |
|---|---|
| SMILES | CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O |
| InChIKey | YRAQEMCYCSSHJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one (CAS 52842-47-4), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: 8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one.
Chemical Property Profile of 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one
Property Insights of 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 55.8 Ų, 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one has 1 hydrogen bond donor(s) and 4 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 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one?
The CAS number of 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one is 52842-47-4.
What is the molecular formula of 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one?
The molecular formula of 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one is C14H14O4.
What is the molecular weight of 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one?
The molecular weight of 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one is 246.09 g/mol.
Where can I buy 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one?
You can request a quote for 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.