RefChem:284103
TL;DR: RefChem:284103 (CAS 117039-02-8) is a chemical compound with molecular formula C26H31ClN4O3S and molecular weight 514.18054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)-2-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanylquinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-((1-(4-morpholinylmethyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-, monohydrochloride, 3-(4-methylphenyl)-2-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanylquinazolin-4-one hydrochloride, 3-(4-Methylphenyl)-2-{[1-(morpholin-4-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}quinazolin-4(3H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C26H31ClN4O3S |
| Molecular Weight | 514.18054 g/mol |
| XLogP | 3.53 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.18054 Da |
| Heavy Atoms | 35 |
| Complexity | 763.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCOCC4)CN5CCCC5=O.Cl |
| InChIKey | QUVYCNXBWLMSKE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:284103
Property Insights of RefChem:284103
The XLogP value of 3.53 indicates that RefChem:284103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:284103. Following Lipinski's Rule of Five, RefChem:284103 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:284103?
The CAS number of RefChem:284103 is 117039-02-8.
What is the molecular formula of RefChem:284103?
The molecular formula of RefChem:284103 is C26H31ClN4O3S.
What is the molecular weight of RefChem:284103?
The molecular weight of RefChem:284103 is 514.18054 g/mol.
Where can I buy RefChem:284103?
You can request a quote for RefChem:284103 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:284103?
Yes, CoreyChem provides custom synthesis services for RefChem:284103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.