Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate
TL;DR: Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate (CAS 757212-63-8) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)benzoate
Also Known As: J3.266.055J, methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate, Methyl 4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)benzoate, 4-(1,8-Dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine-9-yl)benzoic acid methyl ester
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.1742 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 818.5022 |
Chemical Identifiers
| CAS Number | 757212-63-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4 |
Product Overview
Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate (CAS 757212-63-8), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: methyl 4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)benzoate.
Chemical Property Profile of Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate
Property Insights of Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate
The XLogP value of 3.1742 indicates that Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate 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 Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate?
The CAS number of Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate is 757212-63-8.
What is the molecular formula of Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate?
The molecular formula of Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate is C21H21NO4.
What is the molecular weight of Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate?
The molecular weight of Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate is 351.15 g/mol.
Where can I buy Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate?
You can request a quote for Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.