7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid
TL;DR: 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid (CAS 546-30-5) is a chemical compound with molecular formula C18H16O7 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylidene-5'-oxospiro[1-benzofuran-2,3'-cyclopentene]-1'-carboxylic acid
Also Known As: 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid, 7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylidene-5'-oxospi, 7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylene-5'-oxo-spiro[benzofuran-2,3'-cyclopentene]-1'-carboxylic acid, 7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylidene-5'-oxospiro[1-benzofuran-2,3'-cyclopentene]-1'-carboxylic acid, 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro[2-hydrobenzo[b]furan-2,3'-cyclopentane]-10-ene-10-carboxylic acid
| Molecular Formula | C18H16O7 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0896 |
| Heavy Atoms | 25 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 546-30-5 |
|---|---|
| SMILES | CC1=C(C2=C(C(=C1O)C(=O)C)OC3(C2=C)CC(=O)C(=C3C)C(=O)O)O |
| InChIKey | JNLCDXSLOIQRQR-UHFFFAOYSA-N |
Product Overview
7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid (CAS 546-30-5), with molecular formula C18H16O7 and molecular weight 344.09 g/mol. IUPAC: 7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylidene-5'-oxospiro[1-benzofuran-2,3'-cyclopentene]-1'-carboxylic acid.
Chemical Property Profile of 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid
Property Insights of 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid. Following Lipinski's Rule of Five, 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid has 3 hydrogen bond donor(s) and 7 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 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid?
The CAS number of 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid is 546-30-5.
What is the molecular formula of 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid?
The molecular formula of 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid is C18H16O7.
What is the molecular weight of 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid?
The molecular weight of 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid is 344.09 g/mol.
Where can I buy 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid?
You can request a quote for 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetyl-4,6-dihydroxy-5,11-dimethyl-3-methylene-14-oxospiro(2-hydrobenzo(b)furan-2,3'-cyclopentane)-10-ene-10-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.