![4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid structure](/static/products/3125/312595-55-4.webp)
4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid
TL;DR: 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid (CAS 312595-55-4) is a chemical compound with molecular formula C21H13NO4 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoic acid
Also Known As: MixCom6_001859, BAS 00763187, BIM-0032225.P001, 4-(5,7-dioxodibenzo[c,e]azepin-6-yl)benzoic acid, 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoic acid
| Molecular Formula | C21H13NO4 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.08447 |
| Heavy Atoms | 26 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 312595-55-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O |
| InChIKey | RQHPZTXKUDWDBO-UHFFFAOYSA-N |
Product Overview
4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid (CAS 312595-55-4), with molecular formula C21H13NO4 and molecular weight 343.08 g/mol. IUPAC: 4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)benzoic acid.
Chemical Property Profile of 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid
Property Insights of 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid
The XLogP value of 3.6 indicates that 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid has 1 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 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid?
The CAS number of 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid is 312595-55-4.
What is the molecular formula of 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid?
The molecular formula of 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid is C21H13NO4.
What is the molecular weight of 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid?
The molecular weight of 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid is 343.08 g/mol.
Where can I buy 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid?
You can request a quote for 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.