5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride
TL;DR: 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride (CAS 5337-13-3) is a chemical compound with molecular formula C20H30Cl2F3N3 and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[1,1,3,3-tetramethyl-8-(trifluoromethyl)-2,4-dihydropyrido[4,3-b]indol-5-yl]ethanamine;dihydrochloride
Also Known As: 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride, N,N-Dimethyl-2-[1,1,3,3-tetramethyl-8-(trifluoromethyl)-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl]ethan-1-amine--hydrogen chloride (1/2), N,N-dimethyl-2-[1,1,3,3-tetramethyl-8-(trifluoromethyl)-2,4-dihydropyrido[4,3-b]indol-5-yl]ethanamine dihydrochloride, RefChem:305760
| Molecular Formula | C20H30Cl2F3N3 |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 5.2247 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.17688 |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 5337-13-3 |
|---|---|
| SMILES | CC1(CC2=C(C3=C(N2CCN(C)C)C=CC(=C3)C(F)(F)F)C(N1)(C)C)C.Cl.Cl |
| InChIKey | XFNFHCKEZLKJMS-UHFFFAOYSA-N |
Product Overview
5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride (CAS 5337-13-3), with molecular formula C20H30Cl2F3N3 and molecular weight 439.18 g/mol. IUPAC: N,N-dimethyl-2-[1,1,3,3-tetramethyl-8-(trifluoromethyl)-2,4-dihydropyrido[4,3-b]indol-5-yl]ethanamine;dihydrochloride.
Chemical Property Profile of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride
Property Insights of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride
The XLogP value of 5.2247 indicates that 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride?
The CAS number of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride is 5337-13-3.
What is the molecular formula of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride?
The molecular formula of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride is C20H30Cl2F3N3.
What is the molecular weight of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride?
The molecular weight of 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride is 439.18 g/mol.
Where can I buy 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride?
You can request a quote for 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.