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Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate
TL;DR: Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate (CAS 533868-07-4) is a chemical compound with molecular formula C25H21NO4 and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate
Also Known As: butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate, butyl 4-(5,7-dioxo-5H-dibenzo[c,e]azepin-6(7H)-yl)benzoate, F0555-0100, butyl 4-{8,10-dioxo-9-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-yl}benzoate
| Molecular Formula | C25H21NO4 |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 4.461 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.14706 |
| Heavy Atoms | 30 |
| Complexity | 1281.5713 |
Chemical Identifiers
| CAS Number | 533868-07-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O |
Product Overview
Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate (CAS 533868-07-4), with molecular formula C25H21NO4 and molecular weight 399.15 g/mol. IUPAC: butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate.
Chemical Property Profile of Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate
Property Insights of Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate
The XLogP value of 4.461 indicates that Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate. Following Lipinski's Rule of Five, Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate has 0 hydrogen bond donor(s) and 4 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 Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate?
The CAS number of Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate is 533868-07-4.
What is the molecular formula of Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate?
The molecular formula of Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate is C25H21NO4.
What is the molecular weight of Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate?
The molecular weight of Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate is 399.15 g/mol.
Where can I buy Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate?
You can request a quote for Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.