CTK3E9227
TL;DR: CTK3E9227 (CAS 86640-32-6) is a chemical compound with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-(11-ethyl-6H-benzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethylethanamine
Also Known As: Dibenz(b,e)(1,4)oxazepine-11-ethanamine, 5,11-dihydro-5-ethyl-N,N-dimethyl-, (+-)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C23H28N2O5 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 3.9416 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.19983 |
| Heavy Atoms | 30 |
| Complexity | 878.6671 |
Chemical Identifiers
| CAS Number | 86640-32-6 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E9227 (CAS 86640-32-6), with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol. IUPAC: but-2-enedioic acid;2-(11-ethyl-6H-benzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethylethanamine.
Chemical Property Profile of CTK3E9227
Property Insights of CTK3E9227
The XLogP value of 3.9416 indicates that CTK3E9227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3E9227. Following Lipinski's Rule of Five, CTK3E9227 has 2 hydrogen bond donor(s) and 5 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 CTK3E9227?
The CAS number of CTK3E9227 is 86640-32-6.
What is the molecular formula of CTK3E9227?
The molecular formula of CTK3E9227 is C23H28N2O5.
What is the molecular weight of CTK3E9227?
The molecular weight of CTK3E9227 is 412.20 g/mol.
Where can I buy CTK3E9227?
You can request a quote for CTK3E9227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9227?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.