![3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester structure](/static/products/6747/674786-24-4.webp)
3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester
TL;DR: 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester (CAS 674786-24-4) is a chemical compound with molecular formula C16H16O6 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,6-trimethoxy-5-oxobenzo[7]annulene-8-carboxylate
Also Known As: Spectrum2_000455, Spectrum3_000251, Spectrum4_001549, Spectrum5_000118, SPECTRUM210522
| Molecular Formula | C16H16O6 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.0124 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.0947 |
| Heavy Atoms | 22 |
| Complexity | 781.5628 |
Chemical Identifiers
| CAS Number | 674786-24-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C(C=C(C2=O)OC)C(=O)OC)OC |
Product Overview
3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester (CAS 674786-24-4), with molecular formula C16H16O6 and molecular weight 304.09 g/mol. IUPAC: methyl 3,4,6-trimethoxy-5-oxobenzo[7]annulene-8-carboxylate.
Chemical Property Profile of 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester
Property Insights of 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester
The XLogP value of 2.0124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester. Following Lipinski's Rule of Five, 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester has 0 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 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester?
The CAS number of 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester is 674786-24-4.
What is the molecular formula of 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester?
The molecular formula of 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester is C16H16O6.
What is the molecular weight of 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester?
The molecular weight of 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester is 304.09 g/mol.
Where can I buy 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester?
You can request a quote for 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.