N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate
TL;DR: N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate (CAS 81890-65-5) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6H-benzo[b][1,4]benzodioxepin-6-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate, 11H-Dibenzo(b,e)(1,4)dioxepin-11-propanamine, N,N-dimethyl-, (Z)-2-butenedioate (1:1), 11-(3-Dimethylaminopropyl)-11H-dibenzo(b,e)-1,4-dioxepin hydrogen maleate, 11H-DIBENZO(b,e)(1,4)DIOXEPIN-11-PROPANAMINE, N,N-DIMETHYL-, (Z)-2-BUTENEDIOATE, 3-(6H-benzo[b][1,4]benzodioxepin-6-yl)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 1.2142 |
| Topological Polar Surface Area | 100.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 845.8859 |
Chemical Identifiers
| CAS Number | 81890-65-5 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2OC3=CC=CC=C3O1.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate (CAS 81890-65-5), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: 3-(6H-benzo[b][1,4]benzodioxepin-6-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate
Property Insights of N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate
The XLogP value of 1.2142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate. The TPSA of 100.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate. Following Lipinski's Rule of Five, N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate 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 N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate?
The CAS number of N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate is 81890-65-5.
What is the molecular formula of N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate?
The molecular formula of N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate is C22H25NO6.
What is the molecular weight of N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate?
The molecular weight of N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate is 399.17 g/mol.
Where can I buy N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate?
You can request a quote for N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-propanamine maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.