RefChem:283780
TL;DR: RefChem:283780 (CAS 117038-99-0) is a chemical compound with molecular formula C26H31ClN4O2S and molecular weight 498.18564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanyl-3-phenylquinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-3-phenyl-, monohydrochloride, 2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanyl-3-phenylquinazolin-4-one hydrochloride, 2-((1-(2-oxopyrrolidin-1-yl)-3-(piperidin-1-yl)propan-2-yl)thio)-3-phenylquinazolin-4(3H)-one hydrochloride, 2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanyl-3-phenylquinazolin-4-one;hydrochloride, 2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanyl-3-phenylquinazolin-4-one
Technical Specifications
| Molecular Formula | C26H31ClN4O2S |
| Molecular Weight | 498.18564 g/mol |
| XLogP | 4.38 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.18564 Da |
| Heavy Atoms | 34 |
| Complexity | 732.0 |
| SMILES | C1CCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.Cl |
| InChIKey | JVGDQCCYJNOLKC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:283780
Property Insights of RefChem:283780
The XLogP value of 4.38 indicates that RefChem:283780 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:283780. Following Lipinski's Rule of Five, RefChem:283780 has 1 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:283780?
The CAS number of RefChem:283780 is 117038-99-0.
What is the molecular formula of RefChem:283780?
The molecular formula of RefChem:283780 is C26H31ClN4O2S.
What is the molecular weight of RefChem:283780?
The molecular weight of RefChem:283780 is 498.18564 g/mol.
Where can I buy RefChem:283780?
You can request a quote for RefChem:283780 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:283780?
Yes, CoreyChem provides custom synthesis services for RefChem:283780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.