3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one
TL;DR: 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one (CAS 91401-61-5) is a chemical compound with molecular formula C19H18O6 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one
Also Known As: Atrovenetin, (+/-)-Atrovenetin, Atrovenetin, (+-), Atrovenetin, (+/-)-, 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one
| Molecular Formula | C19H18O6 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.11035 |
| Heavy Atoms | 25 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 91401-61-5 |
|---|---|
| SMILES | CC1C(C2=C(C3=C4C(=C2O1)C(=CC(=O)C4=C(C(=C3O)O)O)C)O)(C)C |
| InChIKey | BTQBPLOITIIODY-UHFFFAOYSA-N |
Product Overview
3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one (CAS 91401-61-5), with molecular formula C19H18O6 and molecular weight 342.11 g/mol. IUPAC: 4,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one.
Chemical Property Profile of 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one
Property Insights of 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one
The XLogP value of 4.1 indicates that 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one. Following Lipinski's Rule of Five, 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one has 4 hydrogen bond donor(s) and 6 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 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one?
The CAS number of 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one is 91401-61-5.
What is the molecular formula of 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one?
The molecular formula of 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one is C19H18O6.
What is the molecular weight of 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one?
The molecular weight of 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one is 342.11 g/mol.
Where can I buy 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one?
You can request a quote for 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno(1,2-b)furan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.