RefChem:1073860
TL;DR: RefChem:1073860 (CAS 41958-58-1) is a chemical compound with molecular formula C17H19Cl2N and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6-chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-6-chloro-2,3-dimethyl-4-phenyl-, hydrochloride, (E)-, Isoquinoline, 6-chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, hydrochloride, (E)-, trans-6-Chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, (3S)-6-Chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-iumchloride, (3S)-6-chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
| Molecular Formula | C17H19Cl2N |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | -0.11 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.08945 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 41958-58-1 |
|---|---|
| SMILES | C[C@H]1C(C2=C(C[NH+]1C)C=CC(=C2)Cl)C3=CC=CC=C3.[Cl-] |
| InChIKey | ZSKVJELBWINZHA-HSQRQWGBSA-N |
Product Overview
RefChem:1073860 (CAS 41958-58-1), with molecular formula C17H19Cl2N and molecular weight 307.09 g/mol. IUPAC: (3S)-6-chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of RefChem:1073860
Property Insights of RefChem:1073860
The XLogP value of -0.11 indicates that RefChem:1073860 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:1073860 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073860 has 1 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:1073860?
The CAS number of RefChem:1073860 is 41958-58-1.
What is the molecular formula of RefChem:1073860?
The molecular formula of RefChem:1073860 is C17H19Cl2N.
What is the molecular weight of RefChem:1073860?
The molecular weight of RefChem:1073860 is 307.09 g/mol.
Where can I buy RefChem:1073860?
You can request a quote for RefChem:1073860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.