![10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid structure](/static/products/370/370585-32-3.png)
10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
TL;DR: 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid (CAS 370585-32-3) is a chemical compound with molecular formula C20H16O9 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid, 4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-9-(2-oxopropyl)-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid
| Molecular Formula | C20H16O9 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 2.68174 |
| Topological Polar Surface Area | 147.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.07944 |
| Heavy Atoms | 29 |
| Complexity | 1112.1556 |
Chemical Identifiers
| CAS Number | 370585-32-3 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CC(=O)C)O)C(=O)O)C)C=O)O |
Product Overview
10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid (CAS 370585-32-3), with molecular formula C20H16O9 and molecular weight 400.08 g/mol. IUPAC: 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid.
Chemical Property Profile of 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
Property Insights of 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid
The XLogP value of 2.68174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid. The TPSA of 147.43 Ų indicates high polarity, suggesting 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid has 3 hydrogen bond donor(s) and 8 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 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid?
The CAS number of 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid is 370585-32-3.
What is the molecular formula of 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid?
The molecular formula of 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid is C20H16O9.
What is the molecular weight of 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid?
The molecular weight of 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid is 400.08 g/mol.
Where can I buy 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid?
You can request a quote for 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxo-4-(2-oxopropyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.