1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride
TL;DR: 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride (CAS 53462-83-2) is a chemical compound with molecular formula C15H22Cl2N4 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaen-7-yl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
Also Known As: 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride, 5-(3'-Dimethylaminopropyl)-1,3-dihydropyrrolo(4,3,2-de)isoquinoline dihydrochloride, N'-(1,3-Dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-1,3-propanediamine 2HCl, N~3~-(1,3-Dihydropyrrolo[4,3,2-de]isoquinolin-5-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine--hydrogen chloride (1/2), RefChem:219429
| Molecular Formula | C15H22Cl2N4 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 2.813 |
| Topological Polar Surface Area | 43.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.12216 |
| Heavy Atoms | 21 |
| Complexity | 619.1612 |
Chemical Identifiers
| CAS Number | 53462-83-2 |
|---|---|
| SMILES | CN(C)CCCNC1=NCC2=CNC3=CC=CC1=C23.Cl.Cl |
Product Overview
1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride (CAS 53462-83-2), with molecular formula C15H22Cl2N4 and molecular weight 328.12 g/mol. IUPAC: N-(2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaen-7-yl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride
Property Insights of 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride
The XLogP value of 2.813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride. With a topological polar surface area (TPSA) of 43.42 Ų, 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride 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 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride?
The CAS number of 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride is 53462-83-2.
What is the molecular formula of 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride?
The molecular formula of 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride is C15H22Cl2N4.
What is the molecular weight of 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride?
The molecular weight of 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride is 328.12 g/mol.
Where can I buy 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride?
You can request a quote for 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-N,N-dimethyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.