1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride
TL;DR: 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride (CAS 111380-17-7) is a chemical compound with molecular formula C20H30Cl2N4 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
Also Known As: 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride, 1-(3-Diethylaminopropyl)amino-4,5-dimethyl-5H-pyrido(4,3-b)indole dihydrochloride, N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-diethylpropane-1,3-diamine dihydrochloride, N~3~-(4,5-Dimethyl-5H-pyrido[4,3-b]indol-1-yl)-N~1~,N~1~-diethylpropane-1,3-diamine--hydrogen chloride (1/2)
| Molecular Formula | C20H30Cl2N4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 5.02232 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.18475 |
| Heavy Atoms | 26 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 111380-17-7 |
|---|---|
| SMILES | CCN(CC)CCCNC1=NC=C(C2=C1C3=CC=CC=C3N2C)C.Cl.Cl |
| InChIKey | BDWABOCGWGTTLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride (CAS 111380-17-7), with molecular formula C20H30Cl2N4 and molecular weight 396.18 g/mol. IUPAC: N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride
Property Insights of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride
The XLogP value of 5.02232 indicates that 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.1 Ų, 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride?
The CAS number of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride is 111380-17-7.
What is the molecular formula of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride?
The molecular formula of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride is C20H30Cl2N4.
What is the molecular weight of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride?
The molecular weight of 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride is 396.18 g/mol.
Where can I buy 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride?
You can request a quote for 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, 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'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N'-(4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-diethyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.