4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione
TL;DR: 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione (CAS 606-39-3) is a chemical compound with molecular formula C9H4O6 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dihydroxycyclohepta[c]furan-1,3,5-trione
Also Known As: Stipitatonic acid, Stiptatonic acid, Stipitatonate, 6,8-dihydroxycyclohepta[c]furan-1,3,5-trione, 4,7-Dihydroxy-1H-cyclohepta[c]furan-1,3,6-trione
| Molecular Formula | C9H4O6 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.0008 |
| Heavy Atoms | 15 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 606-39-3 |
|---|---|
| SMILES | C1=C2C(=C(C=C(C1=O)O)O)C(=O)OC2=O |
| InChIKey | IECSWTFJOUGQFO-UHFFFAOYSA-N |
Product Overview
4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione (CAS 606-39-3), with molecular formula C9H4O6 and molecular weight 208.00 g/mol. IUPAC: 6,8-dihydroxycyclohepta[c]furan-1,3,5-trione.
Chemical Property Profile of 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione
Property Insights of 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione. Following Lipinski's Rule of Five, 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione has 2 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 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione?
The CAS number of 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione is 606-39-3.
What is the molecular formula of 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione?
The molecular formula of 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione is C9H4O6.
What is the molecular weight of 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione?
The molecular weight of 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione is 208.00 g/mol.
Where can I buy 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione?
You can request a quote for 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.