![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester structure](/static/products/6161/6161-70-2.webp)
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
TL;DR: 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester (CAS 6161-70-2) is a chemical compound with molecular formula C20H20O7 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-9-methoxy-1,4,7,10-tetramethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate
Also Known As: 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester, 1,4,6,9-Tetramethyl-3-methoxy-8-hydroxy-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid methyl ester, 1,4,6,9-Tetramethyl-3-methoxy-8-hydroxy-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylicacidmethylester, 8-Hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid methyl ester, Benzoic acid, 4',6'-dihydroxy-4-methoxy-2',3,5',6-tetramethyl-2,3'-oxydi-, .epsilon.-lactone, methyl ester
| Molecular Formula | C20H20O7 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.1209 |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 6161-70-2 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)OC)C)C)OC |
| InChIKey | GBAQJUAXTCJTDK-UHFFFAOYSA-N |
Product Overview
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester (CAS 6161-70-2), with molecular formula C20H20O7 and molecular weight 372.12 g/mol. IUPAC: methyl 3-hydroxy-9-methoxy-1,4,7,10-tetramethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate.
Chemical Property Profile of 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
Property Insights of 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
The XLogP value of 4.4 indicates that 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester. Following Lipinski's Rule of Five, 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester has 1 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 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester?
The CAS number of 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester is 6161-70-2.
What is the molecular formula of 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester?
The molecular formula of 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester is C20H20O7.
What is the molecular weight of 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester?
The molecular weight of 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester is 372.12 g/mol.
Where can I buy 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester?
You can request a quote for 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.