Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)
TL;DR: Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) (CAS 31759-06-5) is a chemical compound with molecular formula C30H36N2O9S and molecular weight 600.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(dimethylazaniumyl)ethoxy]benzo[b][1]benzothiepin-6-yl]ethyl-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2), 10-(2-Dimethylaminoethoxy)-11-(2-dimethylaminoethyl)dibenzo(b,f)thiepin di(hydrogen maleate), N,N-Dimethyl-11-(2-(dimethylamino)ethoxy)dibenzo(b,f)thiepin-10-ethylamine maleate, 2-[5-[2-(dimethylazaniumyl)ethoxy]benzo[b][1]benzothiepin-6-yl]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083342
| Molecular Formula | C30H36N2O9S |
|---|---|
| Molecular Weight | 600.21 g/mol |
| LogP | -1.5306 |
| Topological Polar Surface Area | 172.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 600.2142 |
| Heavy Atoms | 42 |
| Complexity | 1251.3628 |
Chemical Identifiers
| CAS Number | 31759-06-5 |
|---|---|
| SMILES | C[NH+](CCC1=C(C2=CC=CC=C2SC3=CC=CC=C13)OCC[NH+](C)C)C.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) (CAS 31759-06-5), with molecular formula C30H36N2O9S and molecular weight 600.21 g/mol. IUPAC: 2-[5-[2-(dimethylazaniumyl)ethoxy]benzo[b][1]benzothiepin-6-yl]ethyl-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)
Property Insights of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)
The XLogP value of -1.5306 indicates that Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.97 Ų indicates high polarity, suggesting Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)?
The CAS number of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) is 31759-06-5.
What is the molecular formula of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)?
The molecular formula of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) is C30H36N2O9S.
What is the molecular weight of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)?
The molecular weight of Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) is 600.21 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)?
You can request a quote for Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-10-ethylamine, N,N-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.