RefChem:283781
TL;DR: RefChem:283781 (CAS 117038-97-8) is a chemical compound with molecular formula C26H33ClN4O2S and molecular weight 500.20126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 2-((1-((diethylamino)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-(4-methylphenyl)-, monohydrochloride, 2-[1-(diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one hydrochloride, 2-[1-(diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one, 2-{[1-(Diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-(4-methylphenyl)quinazolin-4(3H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C26H33ClN4O2S |
| Molecular Weight | 500.20126 g/mol |
| XLogP | 4.54 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.20126 Da |
| Heavy Atoms | 34 |
| Complexity | 717.0 |
| SMILES | CCN(CC)CC(CN1CCCC1=O)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C.Cl |
| InChIKey | LYTOGEAEPZQOMA-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:283781
Property Insights of RefChem:283781
The XLogP value of 4.54 indicates that RefChem:283781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283781. Following Lipinski's Rule of Five, RefChem:283781 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:283781?
The CAS number of RefChem:283781 is 117038-97-8.
What is the molecular formula of RefChem:283781?
The molecular formula of RefChem:283781 is C26H33ClN4O2S.
What is the molecular weight of RefChem:283781?
The molecular weight of RefChem:283781 is 500.20126 g/mol.
Where can I buy RefChem:283781?
You can request a quote for RefChem:283781 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:283781?
Yes, CoreyChem provides custom synthesis services for RefChem:283781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.