RefChem:1058175
TL;DR: RefChem:1058175 (CAS 72808-82-3) is a chemical compound with molecular formula C15H18Cl2N2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride
Also Known As: 5-Chloro-3-(1-ethyl-1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole hydrochloride, 1H-Indole, 5-chloro-3-(1-ethyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride, 5-Chloro-3-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indolechloride, 1H-INDOLE, 5-CHLORO-3-(1-ETHYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-, MONOHYDROCHLORI, 5-chloro-3-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride
| Molecular Formula | C15H18Cl2N2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.08472 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 72808-82-3 |
|---|---|
| SMILES | CC[NH+]1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl.[Cl-] |
| InChIKey | YRZGBPLPGHCSJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1058175 (CAS 72808-82-3), with molecular formula C15H18Cl2N2 and molecular weight 296.08 g/mol. IUPAC: 5-chloro-3-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride.
Chemical Property Profile of RefChem:1058175
Property Insights of RefChem:1058175
The XLogP value of -0.48 indicates that RefChem:1058175 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:1058175 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058175 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:1058175?
The CAS number of RefChem:1058175 is 72808-82-3.
What is the molecular formula of RefChem:1058175?
The molecular formula of RefChem:1058175 is C15H18Cl2N2.
What is the molecular weight of RefChem:1058175?
The molecular weight of RefChem:1058175 is 296.08 g/mol.
Where can I buy RefChem:1058175?
You can request a quote for RefChem:1058175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058175?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.