5-Dimethylaminopropylidenemethyldibenzocycloheptene
TL;DR: 5-Dimethylaminopropylidenemethyldibenzocycloheptene (CAS 33406-34-7) is a chemical compound with molecular formula C25H27NO4 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(E)-N,N-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)but-3-en-1-amine
Also Known As: 5-Dimethylaminopropylidenemethyldibenzocycloheptene, GP 45437, 3-Buten-1-amine, 4-(5H-dibenzo(a,d)cyclohepten-5-yl)-N,N-dimethyl-, (E)-2-butenedioate, (E)-but-2-enedioic acid;(E)-N,N-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)but-3-en-1-amine
| Molecular Formula | C25H27NO4 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 4.522 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.194 |
| Heavy Atoms | 30 |
| Complexity | 891.6259 |
Chemical Identifiers
| CAS Number | 33406-34-7 |
|---|---|
| SMILES | CN(C)CC/C=C/C1C2=CC=CC=C2C=CC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O |
Product Overview
5-Dimethylaminopropylidenemethyldibenzocycloheptene (CAS 33406-34-7), with molecular formula C25H27NO4 and molecular weight 405.19 g/mol. IUPAC: (E)-but-2-enedioic acid;(E)-N,N-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)but-3-en-1-amine.
Chemical Property Profile of 5-Dimethylaminopropylidenemethyldibenzocycloheptene
Property Insights of 5-Dimethylaminopropylidenemethyldibenzocycloheptene
The XLogP value of 4.522 indicates that 5-Dimethylaminopropylidenemethyldibenzocycloheptene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Dimethylaminopropylidenemethyldibenzocycloheptene. Following Lipinski's Rule of Five, 5-Dimethylaminopropylidenemethyldibenzocycloheptene has 2 hydrogen bond donor(s) and 3 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 5-Dimethylaminopropylidenemethyldibenzocycloheptene?
The CAS number of 5-Dimethylaminopropylidenemethyldibenzocycloheptene is 33406-34-7.
What is the molecular formula of 5-Dimethylaminopropylidenemethyldibenzocycloheptene?
The molecular formula of 5-Dimethylaminopropylidenemethyldibenzocycloheptene is C25H27NO4.
What is the molecular weight of 5-Dimethylaminopropylidenemethyldibenzocycloheptene?
The molecular weight of 5-Dimethylaminopropylidenemethyldibenzocycloheptene is 405.19 g/mol.
Where can I buy 5-Dimethylaminopropylidenemethyldibenzocycloheptene?
You can request a quote for 5-Dimethylaminopropylidenemethyldibenzocycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Dimethylaminopropylidenemethyldibenzocycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 5-Dimethylaminopropylidenemethyldibenzocycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.