![(6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate structure](/static/products/7506/7506-73-2.webp)
(6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate
TL;DR: (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate (CAS 7506-73-2) is a chemical compound with molecular formula C17H23ClO5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate
Also Known As: (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate, (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5, 6-Chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl acetate
| Molecular Formula | C17H23ClO5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1234 |
| Heavy Atoms | 23 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 7506-73-2 |
|---|---|
| SMILES | CC(=O)OC1CC2C(CCC(C2(C3C1C(=C)C(=O)O3)C)O)(C)Cl |
| InChIKey | HLMOUPDHGDAZFE-UHFFFAOYSA-N |
Product Overview
(6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate (CAS 7506-73-2), with molecular formula C17H23ClO5 and molecular weight 342.12 g/mol. IUPAC: (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate.
Chemical Property Profile of (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate
Property Insights of (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate. Following Lipinski's Rule of Five, (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate has 1 hydrogen bond donor(s) and 5 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 (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate?
The CAS number of (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate is 7506-73-2.
What is the molecular formula of (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate?
The molecular formula of (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate is C17H23ClO5.
What is the molecular weight of (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate?
The molecular weight of (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate is 342.12 g/mol.
Where can I buy (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate?
You can request a quote for (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.