2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride
TL;DR: 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride (CAS 111050-85-2) is a chemical compound with molecular formula C23H31Cl2N3O3 and molecular weight 467.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-(methylamino)propan-2-ol;dihydrochloride
Also Known As: 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride, 1-[1-(3,4-Dimethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-3-(methylamino)propan-2-ol--hydrogen chloride (1/2), 1-[1-(3,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-(methylamino)propan-2-ol dihydrochloride, RefChem:269117
| Molecular Formula | C23H31Cl2N3O3 |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 3.5565 |
| Topological Polar Surface Area | 69.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.17426 |
| Heavy Atoms | 31 |
| Complexity | 995.3572 |
Chemical Identifiers
| CAS Number | 111050-85-2 |
|---|---|
| SMILES | CNCC(CN1CCC2=C(C1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C24)O.Cl.Cl |
Product Overview
2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride (CAS 111050-85-2), with molecular formula C23H31Cl2N3O3 and molecular weight 467.17 g/mol. IUPAC: 1-[1-(3,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-(methylamino)propan-2-ol;dihydrochloride.
Chemical Property Profile of 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride
Property Insights of 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride
The XLogP value of 3.5565 indicates that 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride. Following Lipinski's Rule of Five, 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 5 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 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride?
The CAS number of 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride is 111050-85-2.
What is the molecular formula of 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride?
The molecular formula of 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride is C23H31Cl2N3O3.
What is the molecular weight of 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride?
The molecular weight of 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride is 467.17 g/mol.
Where can I buy 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride?
You can request a quote for 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyrido(3,4-b)indole-2-ethanol, 1,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-alpha-((methylamino)methyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.