Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride
TL;DR: Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride (CAS 225-82-1) is a chemical compound with molecular formula C23H32Cl2N2 and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(16-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-yl)propan-1-amine;dihydrochloride
Also Known As: Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride, N,N-Dimethyl-3-(2-methyl-1,2,3,7,8,12b-hexahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinolin-3-yl)propan-1-amine--hydrogen chloride (1/2), RefChem:326036
| Molecular Formula | C23H32Cl2N2 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 5.089 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.19424 |
| Heavy Atoms | 27 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 225-82-1 |
|---|---|
| SMILES | CN1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1CCCN(C)C.Cl.Cl |
| InChIKey | SNEDHYNFZIJPHK-UHFFFAOYSA-N |
Product Overview
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride (CAS 225-82-1), with molecular formula C23H32Cl2N2 and molecular weight 406.19 g/mol. IUPAC: N,N-dimethyl-3-(16-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-yl)propan-1-amine;dihydrochloride.
Chemical Property Profile of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride
Property Insights of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride
The XLogP value of 5.089 indicates that Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride?
The CAS number of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride is 225-82-1.
What is the molecular formula of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride?
The molecular formula of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride is C23H32Cl2N2.
What is the molecular weight of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride?
The molecular weight of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride is 406.19 g/mol.
Where can I buy Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride?
You can request a quote for Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.