Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride
TL;DR: Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride (CAS 22563-98-0) is a chemical compound with molecular formula C22H30Cl2N2 and molecular weight 392.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
Also Known As: Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride, N,N-Dimethyl-3-(3,7,8,12b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinolin-2(1H)-yl)propan-1-amine--hydrogen chloride (1/2), RefChem:326032
| Molecular Formula | C22H30Cl2N2 |
|---|---|
| Molecular Weight | 392.18 g/mol |
| LogP | 4.528 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.17862 |
| Heavy Atoms | 26 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 22563-98-0 |
|---|---|
| SMILES | CN(C)CCCN1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1.Cl.Cl |
| InChIKey | ACABZNHQSFCNGC-UHFFFAOYSA-N |
Product Overview
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride (CAS 22563-98-0), with molecular formula C22H30Cl2N2 and molecular weight 392.18 g/mol. IUPAC: 3-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-N,N-dimethylpropan-1-amine;dihydrochloride.
Chemical Property Profile of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride
Property Insights of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride
The XLogP value of 4.528 indicates that Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, 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-2-(3-(dimethylamino)propyl)-, 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-2-(3-(dimethylamino)propyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 2 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 Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride?
The CAS number of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride is 22563-98-0.
What is the molecular formula of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride?
The molecular formula of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride is C22H30Cl2N2.
What is the molecular weight of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride?
The molecular weight of Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride is 392.18 g/mol.
Where can I buy Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride?
You can request a quote for Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, 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-2-(3-(dimethylamino)propyl)-, 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-2-(3-(dimethylamino)propyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.