![1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate structure](/static/products/116/1164527-31-4.png)
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate
TL;DR: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate (CAS 1164527-31-4) is a chemical compound with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;oxalic acid
Also Known As: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate, 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone; oxalic acid
| Molecular Formula | C27H28N4O5 |
|---|---|
| Molecular Weight | 488.21 g/mol |
| LogP | 2.8227 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.20596 |
| Heavy Atoms | 36 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 1164527-31-4 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4CCN(CC4)C5=CC=CC=N5.C(=O)(C(=O)O)O |
| InChIKey | PTJNUKWOLZYADY-UHFFFAOYSA-N |
Product Overview
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate (CAS 1164527-31-4), with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;oxalic acid.
Chemical Property Profile of 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate
Property Insights of 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate
The XLogP value of 2.8227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate. Following Lipinski's Rule of Five, 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate has 2 hydrogen bond donor(s) and 8 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 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate?
The CAS number of 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate is 1164527-31-4.
What is the molecular formula of 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate?
The molecular formula of 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate is C27H28N4O5.
What is the molecular weight of 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate?
The molecular weight of 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate is 488.21 g/mol.
Where can I buy 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate?
You can request a quote for 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)ethanone oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.