RefChem:318698
TL;DR: RefChem:318698 (CAS 15589-19-2) is a chemical compound with molecular formula C21H25ClIN3OS and molecular weight 529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium iodide
Also Known As: Ammonium, (2-((3,4-dihydro-7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)diethylmethyl-, iodide, 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium iodide, AMMONIUM, (2-((3,4-DIHYDRO-7-CHLORO-4-OXO-3-PHENYL-2-QUINAZOLINYL)THIO)ETHYL)DIE, 2-[(7-Chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]-N,N-diethyl-N-methylethan-1-aminium iodide, RefChem:318698
| Molecular Formula | C21H25ClIN3OS |
|---|---|
| Molecular Weight | 529.05 g/mol |
| LogP | 1.62 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.04517 |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 15589-19-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3.[I-] |
| InChIKey | CIHUJRGMEYGYOL-UHFFFAOYSA-M |
Product Overview
RefChem:318698 (CAS 15589-19-2), with molecular formula C21H25ClIN3OS and molecular weight 529.05 g/mol. IUPAC: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium iodide.
Chemical Property Profile of RefChem:318698
Property Insights of RefChem:318698
The XLogP value of 1.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318698. With a topological polar surface area (TPSA) of 58.0 Ų, RefChem:318698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318698 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318698?
The CAS number of RefChem:318698 is 15589-19-2.
What is the molecular formula of RefChem:318698?
The molecular formula of RefChem:318698 is C21H25ClIN3OS.
What is the molecular weight of RefChem:318698?
The molecular weight of RefChem:318698 is 529.05 g/mol.
Where can I buy RefChem:318698?
You can request a quote for RefChem:318698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318698?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.