RefChem:378513
TL;DR: RefChem:378513 (CAS 63680-61-5) is a chemical compound with molecular formula C18H31Cl2N3O2 and molecular weight 391.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethyl-(quinolin-2-ylmethyl)amino]ethanol;hydrate;dihydrochloride
Also Known As: Quinoline, 2-((N-(diethylaminoethyl)-N-(2-hydroxyethyl)amino)methyl)-, dihydrochloride, hydrate, 2-{[2-(diethylamino)ethyl](quinolin-2-ylmethyl)amino}ethanol dihydrochloride hydrate, 2-[2-diethylaminoethyl(quinolin-2-ylmethyl)amino]ethanol hydrate dihydrochloride, 2-{[2-(Diethylamino)ethyl][(quinolin-2-yl)methyl]amino}ethan-1-ol--hydrogen chloride--water (1/2/1), Ethanol, 2-[[2-(diethylamino)ethyl](2-quinolinylmethyl)amino]-, dihydrochloride, monohydrate
| Molecular Formula | C18H31Cl2N3O2 |
|---|---|
| Molecular Weight | 391.18 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.17932 |
| Heavy Atoms | 25 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 63680-61-5 |
|---|---|
| SMILES | CCN(CC)CCN(CCO)CC1=NC2=CC=CC=C2C=C1.O.Cl.Cl |
| InChIKey | NYOGEUOODGKWFZ-UHFFFAOYSA-N |
Product Overview
RefChem:378513 (CAS 63680-61-5), with molecular formula C18H31Cl2N3O2 and molecular weight 391.18 g/mol. IUPAC: 2-[2-(diethylamino)ethyl-(quinolin-2-ylmethyl)amino]ethanol;hydrate;dihydrochloride.
Chemical Property Profile of RefChem:378513
Property Insights of RefChem:378513
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:378513. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:378513 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378513 has 4 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:378513?
The CAS number of RefChem:378513 is 63680-61-5.
What is the molecular formula of RefChem:378513?
The molecular formula of RefChem:378513 is C18H31Cl2N3O2.
What is the molecular weight of RefChem:378513?
The molecular weight of RefChem:378513 is 391.18 g/mol.
Where can I buy RefChem:378513?
You can request a quote for RefChem:378513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378513?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.