RefChem:1087749
TL;DR: RefChem:1087749 (CAS 41958-59-2) is a chemical compound with molecular formula C17H18Cl3N and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6,8-dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-6,8-dichloro-2,3-dimethyl-4-phenyl-, hydrochloride, (E)-, (3S)-6,8-dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, Isoquinoline, 6,8-dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, hydrochloride, (E)-, trans-6,8-Dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline, 6,8-dichloro-1,2,3,4-tetrahydro-2,3-dimethyl-4-phenyl-, hydrochloride, trans-
| Molecular Formula | C17H18Cl3N |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 0.55 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.05048 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 41958-59-2 |
|---|---|
| SMILES | C[C@H]1C(C2=C(C[NH+]1C)C(=CC(=C2)Cl)Cl)C3=CC=CC=C3.[Cl-] |
| InChIKey | WULYHCNMZRXLOU-WLDKTUJCSA-N |
Product Overview
RefChem:1087749 (CAS 41958-59-2), with molecular formula C17H18Cl3N and molecular weight 341.05 g/mol. IUPAC: (3S)-6,8-dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of RefChem:1087749
Property Insights of RefChem:1087749
The XLogP value of 0.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1087749. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:1087749 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1087749 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:1087749?
The CAS number of RefChem:1087749 is 41958-59-2.
What is the molecular formula of RefChem:1087749?
The molecular formula of RefChem:1087749 is C17H18Cl3N.
What is the molecular weight of RefChem:1087749?
The molecular weight of RefChem:1087749 is 341.05 g/mol.
Where can I buy RefChem:1087749?
You can request a quote for RefChem:1087749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.