6-ethyl-5H-dibenz(c,e)azepine
TL;DR: 6-ethyl-5H-dibenz(c,e)azepine (CAS 6278-04-2) is a chemical compound with molecular formula C16H16N+ and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-7H-benzo[d][2]benzazepin-6-ium
Also Known As: 6-ethyl-5h-dibenzo[c,e]azepinium, 6-Ethyl-5H-dibenz(c,e)azepine, 6-EDBAZ, 5H-Dibenz(c,e)azepine, 6-ethyl-, 5H-Dibenz(c,e)azepinium, 6-ethyl-
| Molecular Formula | C16H16N+ |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.12828 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 6278-04-2 |
|---|---|
| SMILES | CC[N+]1=CC2=CC=CC=C2C3=CC=CC=C3C1 |
| InChIKey | DDMWOUNBKFWGRJ-UHFFFAOYSA-N |
Product Overview
6-ethyl-5H-dibenz(c,e)azepine (CAS 6278-04-2), with molecular formula C16H16N+ and molecular weight 222.13 g/mol. IUPAC: 6-ethyl-7H-benzo[d][2]benzazepin-6-ium.
Chemical Property Profile of 6-ethyl-5H-dibenz(c,e)azepine
Property Insights of 6-ethyl-5H-dibenz(c,e)azepine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-ethyl-5H-dibenz(c,e)azepine. With a topological polar surface area (TPSA) of 3.0 Ų, 6-ethyl-5H-dibenz(c,e)azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-ethyl-5H-dibenz(c,e)azepine has 0 hydrogen bond donor(s) and 0 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 6-ethyl-5H-dibenz(c,e)azepine?
The CAS number of 6-ethyl-5H-dibenz(c,e)azepine is 6278-04-2.
What is the molecular formula of 6-ethyl-5H-dibenz(c,e)azepine?
The molecular formula of 6-ethyl-5H-dibenz(c,e)azepine is C16H16N+.
What is the molecular weight of 6-ethyl-5H-dibenz(c,e)azepine?
The molecular weight of 6-ethyl-5H-dibenz(c,e)azepine is 222.13 g/mol.
Where can I buy 6-ethyl-5H-dibenz(c,e)azepine?
You can request a quote for 6-ethyl-5H-dibenz(c,e)azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethyl-5H-dibenz(c,e)azepine?
Yes, KEHONG BIO provides custom synthesis services for 6-ethyl-5H-dibenz(c,e)azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.