9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide
TL;DR: 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide (CAS 63731-83-9) is a chemical compound with molecular formula C21H31Br2N3 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[6-(1-methylpyrido[3,4-b]indol-2-yl)hexyl]azanium;bromide;hydrobromide
Also Known As: IN 178, 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide, Ammonium, (6-(1-methyl-9H-pyrido(3,4-b)indolinio)hexyl)trimethyl-, dibromide, 2H-Pyrido(3,4-b)indole-2-hexanaminium, N,N,N,1-tetramethyl-, bromide, monohydrobromide, 9H-Pyrido(3,4-b)indolium, 2-(6'-dimethylaminohexyl)-1-methyl-, bromide, methobromide
| Molecular Formula | C21H31Br2N3 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.08643 |
| Heavy Atoms | 26 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 63731-83-9 |
|---|---|
| SMILES | CC1=C2C(=C3C=CC=CC3=N2)C=CN1CCCCCC[N+](C)(C)C.Br.[Br-] |
| InChIKey | IOQGBHYJEGYACJ-UHFFFAOYSA-M |
Product Overview
9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide (CAS 63731-83-9), with molecular formula C21H31Br2N3 and molecular weight 483.09 g/mol. IUPAC: trimethyl-[6-(1-methylpyrido[3,4-b]indol-2-yl)hexyl]azanium;bromide;hydrobromide.
Chemical Property Profile of 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide
Property Insights of 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide. With a topological polar surface area (TPSA) of 17.8 Ų, 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide has 1 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 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide?
The CAS number of 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide is 63731-83-9.
What is the molecular formula of 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide?
The molecular formula of 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide is C21H31Br2N3.
What is the molecular weight of 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide?
The molecular weight of 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide is 483.09 g/mol.
Where can I buy 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide?
You can request a quote for 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide?
Yes, KEHONG BIO provides custom synthesis services for 9H-Pyrido(3,4-b)indolium, 1-methyl-2-(6-(trimethylammonio)hexyl)-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.