RefChem:283783
TL;DR: RefChem:283783 (CAS 117039-06-2) is a chemical compound with molecular formula C28H35ClN4O3S and molecular weight 542.21185 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-(4-methoxyphenyl)quinazolin-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-(4-methoxyphenyl)-, monohydrochloride, 2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one hydrochloride, 2-{[1-(Azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-(4-methoxyphenyl)quinazolin-4(3H)-one--hydrogen chloride (1/1), 4(3h)-quinazolinone, 2-((1-((hexahydro-1h-azepin-1-yl)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-(4-methoxyphenyl)-,monohydrochloride
Technical Specifications
| Molecular Formula | C28H35ClN4O3S |
| Molecular Weight | 542.21185 g/mol |
| XLogP | 4.78 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.21185 Da |
| Heavy Atoms | 37 |
| Complexity | 792.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCCC4)CN5CCCC5=O.Cl |
| InChIKey | UCWQQQVBLHUPFN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:283783
Property Insights of RefChem:283783
The XLogP value of 4.78 indicates that RefChem:283783 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:283783. Following Lipinski's Rule of Five, RefChem:283783 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:283783?
The CAS number of RefChem:283783 is 117039-06-2.
What is the molecular formula of RefChem:283783?
The molecular formula of RefChem:283783 is C28H35ClN4O3S.
What is the molecular weight of RefChem:283783?
The molecular weight of RefChem:283783 is 542.21185 g/mol.
Where can I buy RefChem:283783?
You can request a quote for RefChem:283783 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:283783?
Yes, CoreyChem provides custom synthesis services for RefChem:283783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.