Einecs 274-471-8
TL;DR: Einecs 274-471-8 (CAS 70234-85-4) is a chemical compound with molecular formula C17H24ClNO and molecular weight 293.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinolin-2-ium chloride
Also Known As: EINECS 274-471-8, (1)-1,2,3,4,5,6,7,8-Octahydro-1-(4-methoxybenzyl)isoquinolinium chloride, (+-)-1,2,3,4,5,6,7,8-octahydro-1-(4-methoxybenzyl)isoquinolinium chloride, 1-[(4-Methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinolin-2-ium;chloride
| Molecular Formula | C17H24ClNO |
|---|---|
| Molecular Weight | 293.15 g/mol |
| LogP | -0.552 |
| Topological Polar Surface Area | 25.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.15463 |
| Heavy Atoms | 20 |
| Complexity | 462.38327 |
Chemical Identifiers
| CAS Number | 70234-85-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2C3=C(CCCC3)CC[NH2+]2.[Cl-] |
Product Overview
Einecs 274-471-8 (CAS 70234-85-4), with molecular formula C17H24ClNO and molecular weight 293.15 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinolin-2-ium chloride.
Chemical Property Profile of Einecs 274-471-8
Property Insights of Einecs 274-471-8
The XLogP value of -0.552 indicates that Einecs 274-471-8 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.84 Ų, Einecs 274-471-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 274-471-8 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 Einecs 274-471-8?
The CAS number of Einecs 274-471-8 is 70234-85-4.
What is the molecular formula of Einecs 274-471-8?
The molecular formula of Einecs 274-471-8 is C17H24ClNO.
What is the molecular weight of Einecs 274-471-8?
The molecular weight of Einecs 274-471-8 is 293.15 g/mol.
Where can I buy Einecs 274-471-8?
You can request a quote for Einecs 274-471-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 274-471-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 274-471-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.