RefChem:315912
TL;DR: RefChem:315912 (CAS 106636-61-7) is a chemical compound with molecular formula C21H25ClN2O3S and molecular weight 420.12744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroacridin-9-yl)sulfanylacetate;diethyl(2-hydroxyethyl)azanium
Also Known As: Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with 2-(diethylamino)ethanol (1:1), ((2-Chloro-9-acridinyl)thio)acetic acid compd. with 2-(diethylamino)ethanol (1:1), 2-(2-chloroacridin-9-yl)sulfanylacetate; diethyl(2-hydroxyethyl)azanium, n,n-diethyl-2-hydroxyethanaminium[(2-chloroacridin-9-yl)sulfanyl]acetate, N,N-Diethyl-2-hydroxyethan-1-aminium [(2-chloroacridin-9-yl)sulfanyl]acetate
Technical Specifications
| Molecular Formula | C21H25ClN2O3S |
| Molecular Weight | 420.12744 g/mol |
| XLogP | 1.79 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.12744 Da |
| Heavy Atoms | 28 |
| Complexity | 406.0 |
| SMILES | CC[NH+](CC)CCO.C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)Cl)SCC(=O)[O-] |
| InChIKey | IBTRDPQRNZJDSS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:315912
Property Insights of RefChem:315912
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315912. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315912. Following Lipinski's Rule of Five, RefChem:315912 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:315912?
The CAS number of RefChem:315912 is 106636-61-7.
What is the molecular formula of RefChem:315912?
The molecular formula of RefChem:315912 is C21H25ClN2O3S.
What is the molecular weight of RefChem:315912?
The molecular weight of RefChem:315912 is 420.12744 g/mol.
Where can I buy RefChem:315912?
You can request a quote for RefChem:315912 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:315912?
Yes, CoreyChem provides custom synthesis services for RefChem:315912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.