RefChem:283784
TL;DR: RefChem:283784 (CAS 117039-05-1) is a chemical compound with molecular formula C27H33ClN4O2S and molecular weight 512.2013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 2-((1-((hexahydro-1H-azepin-1-yl)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-phenyl-, monohydrochloride, 2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one hydrochloride, 2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one, 2-{[1-(Azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C27H33ClN4O2S |
| Molecular Weight | 512.2013 g/mol |
| XLogP | 4.77 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.2013 Da |
| Heavy Atoms | 35 |
| Complexity | 745.0 |
| SMILES | C1CCCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.Cl |
| InChIKey | VXMADGMIEPZPJJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:283784
Property Insights of RefChem:283784
The XLogP value of 4.77 indicates that RefChem:283784 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:283784. Following Lipinski's Rule of Five, RefChem:283784 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:283784?
The CAS number of RefChem:283784 is 117039-05-1.
What is the molecular formula of RefChem:283784?
The molecular formula of RefChem:283784 is C27H33ClN4O2S.
What is the molecular weight of RefChem:283784?
The molecular weight of RefChem:283784 is 512.2013 g/mol.
Where can I buy RefChem:283784?
You can request a quote for RefChem:283784 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:283784?
Yes, CoreyChem provides custom synthesis services for RefChem:283784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.