1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride
TL;DR: 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride (CAS 111380-33-7) is a chemical compound with molecular formula C20H30Cl2N4O and molecular weight 412.18 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,2-trimethylpropane-1,3-diamine;dihydrochloride
Also Known As: 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride, 1,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N,2-trimethyl-, dihydrochloride, 3-[(8-Methoxy-4,5-dimethyl-2,5-dihydro-1H-pyrido[4,3-b]indol-1-ylidene)amino]-N,N,2-trimethylpropan-1-amine--hydrogen chloride (1/2), N'-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N,N,2-trimethylpropane-1,3-diamine dihydrochloride
| Molecular Formula | C20H30Cl2N4O |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 4.49672 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.17966 |
| Heavy Atoms | 27 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 111380-33-7 |
|---|---|
| SMILES | CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)OC)C)NCC(C)CN(C)C.Cl.Cl |
| InChIKey | UXWSWSLVKNGGCH-UHFFFAOYSA-N |
Product Overview
1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride (CAS 111380-33-7), with molecular formula C20H30Cl2N4O and molecular weight 412.18 g/mol. IUPAC: N'-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N,N,2-trimethylpropane-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride
Property Insights of 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride
The XLogP value of 4.49672 indicates that 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole 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-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole 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-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride?
The CAS number of 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride is 111380-33-7.
What is the molecular formula of 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride?
The molecular formula of 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride is C20H30Cl2N4O.
What is the molecular weight of 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride?
The molecular weight of 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride is 412.18 g/mol.
Where can I buy 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride?
You can request a quote for 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole 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-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.