alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate
TL;DR: alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate (CAS 51490-49-4) is a chemical compound with molecular formula C26H33NO5 and molecular weight 439.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate, Ethanamine, N,N-dimethyl-2-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methoxy)-, (Z)-2-butenedioate (1:1), ETHANAMINE, N,N-DIMETHYL-2-(PHENYL(6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-2-YL)M, dimethyl-[2-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1084313
| Molecular Formula | C26H33NO5 |
|---|---|
| Molecular Weight | 439.24 g/mol |
| LogP | 1.5831 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.23587 |
| Heavy Atoms | 32 |
| Complexity | 876.34515 |
Chemical Identifiers
| CAS Number | 51490-49-4 |
|---|---|
| SMILES | C[NH+](C)CCOC(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate (CAS 51490-49-4), with molecular formula C26H33NO5 and molecular weight 439.24 g/mol. IUPAC: dimethyl-[2-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate
Property Insights of alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate
The XLogP value of 1.5831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate. Following Lipinski's Rule of Five, alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate has 2 hydrogen bond donor(s) and 4 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 alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate?
The CAS number of alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate is 51490-49-4.
What is the molecular formula of alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate?
The molecular formula of alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate is C26H33NO5.
What is the molecular weight of alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate?
The molecular weight of alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate is 439.24 g/mol.
Where can I buy alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate?
You can request a quote for alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate?
Yes, KEHONG BIO provides custom synthesis services for alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl 2-dimethylaminoethyl ether maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.