RefChem:1061780
TL;DR: RefChem:1061780 (CAS 89928-73-4) is a chemical compound with molecular formula C20H20Cl2N2O2 and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 1-chloro-4-phenylisoquinoline-3-carboxylate;hydrochloride
Also Known As: 2-(Dimethylamino)ethyl 1-chloro-4-phenylisoquinoline-3-carboxylate--hydrogen chloride (1/1), 1-Chloro-4-phenyl-3-isoquinolinecarboxylic acid 2-(dimethylamino)ethyl ester hydrochloride, 2-dimethylaminoethyl 1-chloro-4-phenylisoquinoline-3-carboxylate hydrochloride, 3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride, RefChem:1061780
| Molecular Formula | C20H20Cl2N2O2 |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 4.6954 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09018 |
| Heavy Atoms | 26 |
| Complexity | 898.9567 |
Chemical Identifiers
| CAS Number | 89928-73-4 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3.Cl |
Product Overview
RefChem:1061780 (CAS 89928-73-4), with molecular formula C20H20Cl2N2O2 and molecular weight 390.09 g/mol. IUPAC: 2-(dimethylamino)ethyl 1-chloro-4-phenylisoquinoline-3-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:1061780
Property Insights of RefChem:1061780
The XLogP value of 4.6954 indicates that RefChem:1061780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, RefChem:1061780 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061780 has 0 hydrogen bond donor(s) and 4 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:1061780?
The CAS number of RefChem:1061780 is 89928-73-4.
What is the molecular formula of RefChem:1061780?
The molecular formula of RefChem:1061780 is C20H20Cl2N2O2.
What is the molecular weight of RefChem:1061780?
The molecular weight of RefChem:1061780 is 390.09 g/mol.
Where can I buy RefChem:1061780?
You can request a quote for RefChem:1061780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.