RefChem:1058160
TL;DR: RefChem:1058160 (CAS 79931-43-4) is a chemical compound with molecular formula C17H22Cl2N2 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-butyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-5-chloro-1H-indole chloride
Also Known As: 3-(1-Butyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-1H-indole hydrochloride, 1H-Indole, 3-(1-butyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride, 3-(1-Butyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-5-chloro-1H-indolechloride, 1H-INDOLE, 3-(1-BUTYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-5-CHLORO-, MONOHYDROCHLORI, 3-(1-butyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-5-chloro-1H-indole chloride
| Molecular Formula | C17H22Cl2N2 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.116 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 79931-43-4 |
|---|---|
| SMILES | CCCC[NH+]1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl.[Cl-] |
| InChIKey | STZMNXYLWOKQJQ-UHFFFAOYSA-N |
Product Overview
RefChem:1058160 (CAS 79931-43-4), with molecular formula C17H22Cl2N2 and molecular weight 324.12 g/mol. IUPAC: 3-(1-butyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-5-chloro-1H-indole chloride.
Chemical Property Profile of RefChem:1058160
Property Insights of RefChem:1058160
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058160. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:1058160 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058160 has 2 hydrogen bond donor(s) and 1 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 RefChem:1058160?
The CAS number of RefChem:1058160 is 79931-43-4.
What is the molecular formula of RefChem:1058160?
The molecular formula of RefChem:1058160 is C17H22Cl2N2.
What is the molecular weight of RefChem:1058160?
The molecular weight of RefChem:1058160 is 324.12 g/mol.
Where can I buy RefChem:1058160?
You can request a quote for RefChem:1058160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058160?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.