RefChem:1072569
TL;DR: RefChem:1072569 (CAS 77248-66-9) is a chemical compound with molecular formula C14H17ClN2S and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride
Also Known As: 5-(Methylthio)-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole hydrochloride, 1H-INDOLE, 5-(METHYLTHIO)-3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-, MONOHYDROCHLORIDE, 5-Methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indolechloride, 5-(Methylsulfanyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole--hydrogen chloride (1/1), 5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride
| Molecular Formula | C14H17ClN2S |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | -0.76 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0801 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 77248-66-9 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)NC=C2C3=CC[NH2+]CC3.[Cl-] |
| InChIKey | LWUTUIGRZHGJDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1072569 (CAS 77248-66-9), with molecular formula C14H17ClN2S and molecular weight 280.08 g/mol. IUPAC: 5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride.
Chemical Property Profile of RefChem:1072569
Property Insights of RefChem:1072569
The XLogP value of -0.76 indicates that RefChem:1072569 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.7 Ų, RefChem:1072569 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072569 has 2 hydrogen bond donor(s) and 2 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:1072569?
The CAS number of RefChem:1072569 is 77248-66-9.
What is the molecular formula of RefChem:1072569?
The molecular formula of RefChem:1072569 is C14H17ClN2S.
What is the molecular weight of RefChem:1072569?
The molecular weight of RefChem:1072569 is 280.08 g/mol.
Where can I buy RefChem:1072569?
You can request a quote for RefChem:1072569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072569?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.