1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride
TL;DR: 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride (CAS 111380-31-5) is a chemical compound with molecular formula C19H28Cl2N4O and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
Also Known As: 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride, 1-(3-Dimethylaminopropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride, N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylpropane-1,3-diamine dihydrochloride, N~3~-(8-Methoxy-4,5-dimethyl-5H-pyrido[4,3-b]indol-1-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine--hydrogen chloride (1/2)
| Molecular Formula | C19H28Cl2N4O |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 4.25072 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.16403 |
| Heavy Atoms | 26 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 111380-31-5 |
|---|---|
| SMILES | CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)OC)C)NCCCN(C)C.Cl.Cl |
| InChIKey | LTANLLNPAXGRRF-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'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride (CAS 111380-31-5), with molecular formula C19H28Cl2N4O and molecular weight 398.16 g/mol. IUPAC: N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride
Property Insights of 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride
The XLogP value of 4.25072 indicates that 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-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'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride has 3 hydrogen bond donor(s) and 4 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'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride?
The CAS number of 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride is 111380-31-5.
What is the molecular formula of 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride?
The molecular formula of 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride is C19H28Cl2N4O.
What is the molecular weight of 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride?
The molecular weight of 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride is 398.16 g/mol.
Where can I buy 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride?
You can request a quote for 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-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'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N-dimethyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.