![10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone structure](/static/products/180/180693-55-4.png)
10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone
TL;DR: 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone (CAS 180693-55-4) is a chemical compound with molecular formula C21H16N2O3 and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-nitrophenyl)methanone
Also Known As: BAS 00126881, 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone, 10H,11H-dibenzo[b,f]azepin-5-yl 4-nitrophenyl ketone, 5-{4-nitrobenzoyl}-10,11-dihydro-5H-dibenzo[b,f]azepine, 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-nitrophenyl)methanone
| Molecular Formula | C21H16N2O3 |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.1161 |
| Heavy Atoms | 26 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 180693-55-4 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | QKYKXKAMPIBNOJ-UHFFFAOYSA-N |
Product Overview
10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone (CAS 180693-55-4), with molecular formula C21H16N2O3 and molecular weight 344.12 g/mol. IUPAC: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-nitrophenyl)methanone.
Chemical Property Profile of 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone
Property Insights of 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone
The XLogP value of 4.6 indicates that 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 3 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 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone?
The CAS number of 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone is 180693-55-4.
What is the molecular formula of 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone?
The molecular formula of 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone is C21H16N2O3.
What is the molecular weight of 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone?
The molecular weight of 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone is 344.12 g/mol.
Where can I buy 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone?
You can request a quote for 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.