Ro 04-5595 hydrochloride
TL;DR: Ro 04-5595 hydrochloride (CAS 64047-73-0) is a chemical compound with molecular formula C19H23Cl2NO2 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol chloride
Also Known As: Ro 04-5595 hydrochloride, 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrochloride, 1-(4-Chlorophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol hydrochloride, 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol chloride, 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
| Molecular Formula | C19H23Cl2NO2 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1106 |
| Heavy Atoms | 24 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 64047-73-0 |
|---|---|
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)O)OC.[Cl-] |
| InChIKey | NVIPBLQAFKRFSZ-UHFFFAOYSA-N |
Product Overview
Ro 04-5595 hydrochloride (CAS 64047-73-0), with molecular formula C19H23Cl2NO2 and molecular weight 367.11 g/mol. IUPAC: 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol chloride.
Chemical Property Profile of Ro 04-5595 hydrochloride
Property Insights of Ro 04-5595 hydrochloride
The XLogP value of -0.2 indicates that Ro 04-5595 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.9 Ų, Ro 04-5595 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 04-5595 hydrochloride has 2 hydrogen bond donor(s) and 3 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 Ro 04-5595 hydrochloride?
The CAS number of Ro 04-5595 hydrochloride is 64047-73-0.
What is the molecular formula of Ro 04-5595 hydrochloride?
The molecular formula of Ro 04-5595 hydrochloride is C19H23Cl2NO2.
What is the molecular weight of Ro 04-5595 hydrochloride?
The molecular weight of Ro 04-5595 hydrochloride is 367.11 g/mol.
Where can I buy Ro 04-5595 hydrochloride?
You can request a quote for Ro 04-5595 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 04-5595 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ro 04-5595 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.