5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride
TL;DR: 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride (CAS 5502-40-9) is a chemical compound with molecular formula C15H20ClN2OS+ and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)ethanamine;hydrochloride
Also Known As: 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride, Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(2-(dimethylamino)ethyl)-, monohydrochloride, N,N-dimethyl-2-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)ethanamine hydrochloride
| Molecular Formula | C15H20ClN2OS+ |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 3.0891 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.09848 |
| Heavy Atoms | 20 |
| Complexity | 558.55945 |
Chemical Identifiers
| CAS Number | 5502-40-9 |
|---|---|
| SMILES | CN(C)CC[N+]1(C2C=COC=C2C3=CC=CC=C31)S.Cl |
Product Overview
5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride (CAS 5502-40-9), with molecular formula C15H20ClN2OS+ and molecular weight 311.10 g/mol. IUPAC: N,N-dimethyl-2-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)ethanamine;hydrochloride.
Chemical Property Profile of 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride
Property Insights of 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride
The XLogP value of 3.0891 indicates that 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride has 1 hydrogen bond donor(s) and 3 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 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride?
The CAS number of 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride is 5502-40-9.
What is the molecular formula of 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride?
The molecular formula of 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride is C15H20ClN2OS+.
What is the molecular weight of 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride?
The molecular weight of 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride is 311.10 g/mol.
Where can I buy 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride?
You can request a quote for 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.