Desethylamodiaquine
TL;DR: Desethylamodiaquine (CAS 79352-78-6) is a chemical compound with molecular formula C18H18ClN3O and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol
Also Known As: desethylamodiaquine, N-DESETHYL AMODIAQUINE, Monodesethylamodiaquine, N-desethylamodiaquine, Dmetpa
| Molecular Formula | C18H18ClN3O |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.11383 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 79352-78-6 |
|---|---|
| SMILES | CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O |
| InChIKey | VRXFDHAGFYWGHT-UHFFFAOYSA-N |
Product Overview
Desethylamodiaquine (CAS 79352-78-6), with molecular formula C18H18ClN3O and molecular weight 327.11 g/mol. IUPAC: 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol.
Chemical Property Profile of Desethylamodiaquine
Property Insights of Desethylamodiaquine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desethylamodiaquine. With a topological polar surface area (TPSA) of 57.2 Ų, Desethylamodiaquine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desethylamodiaquine has 3 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 Desethylamodiaquine?
The CAS number of Desethylamodiaquine is 79352-78-6.
What is the molecular formula of Desethylamodiaquine?
The molecular formula of Desethylamodiaquine is C18H18ClN3O.
What is the molecular weight of Desethylamodiaquine?
The molecular weight of Desethylamodiaquine is 327.11 g/mol.
Where can I buy Desethylamodiaquine?
You can request a quote for Desethylamodiaquine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desethylamodiaquine?
Yes, KEHONG BIO provides custom synthesis services for Desethylamodiaquine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.