RefChem:1068077
TL;DR: RefChem:1068077 (CAS 89928-72-3) is a chemical compound with molecular formula C22H22Cl2N2O3 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate;hydrochloride
Also Known As: 1-Chloro-4-phenyl-3-isoquinolinecarboxylic acid 2-morpholinoethyl ester hydrochloride, 2-(Morpholin-4-yl)ethyl 1-chloro-4-phenylisoquinoline-3-carboxylate--hydrogen chloride (1/1), 3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl-, 2-morpholinoethyl ester, hydrochloride, 2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate hydrochloride, 3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl-, 2-morpholinoethyl ester, monohydrochloride
| Molecular Formula | C22H22Cl2N2O3 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 4.466 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.10074 |
| Heavy Atoms | 29 |
| Complexity | 976.45825 |
Chemical Identifiers
| CAS Number | 89928-72-3 |
|---|---|
| SMILES | C1COCCN1CCOC(=O)C2=C(C3=CC=CC=C3C(=N2)Cl)C4=CC=CC=C4.Cl |
Product Overview
RefChem:1068077 (CAS 89928-72-3), with molecular formula C22H22Cl2N2O3 and molecular weight 432.10 g/mol. IUPAC: 2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:1068077
Property Insights of RefChem:1068077
The XLogP value of 4.466 indicates that RefChem:1068077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.66 Ų, RefChem:1068077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068077 has 0 hydrogen bond donor(s) and 5 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:1068077?
The CAS number of RefChem:1068077 is 89928-72-3.
What is the molecular formula of RefChem:1068077?
The molecular formula of RefChem:1068077 is C22H22Cl2N2O3.
What is the molecular weight of RefChem:1068077?
The molecular weight of RefChem:1068077 is 432.10 g/mol.
Where can I buy RefChem:1068077?
You can request a quote for RefChem:1068077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068077?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.