RefChem:284098
TL;DR: RefChem:284098 (CAS 117039-01-7) is a chemical compound with molecular formula C27H33ClN4O3S and molecular weight 528.19617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride, 3-(4-methoxyphenyl)-2-((1-(2-oxopyrrolidin-1-yl)-3-(piperidin-1-yl)propan-2-yl)thio)quinazolin-4(3H)-one hydrochloride, 3-(4-methoxyphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one;hydrochloride, 3-(4-methoxyphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one hydrochloride, 3-(4-Methoxyphenyl)-2-{[1-(2-oxopyrrolidin-1-yl)-3-(piperidin-1-yl)propan-2-yl]sulfanyl}quinazolin-4(3H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C27H33ClN4O3S |
| Molecular Weight | 528.19617 g/mol |
| XLogP | 4.39 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.19617 Da |
| Heavy Atoms | 36 |
| Complexity | 778.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCC4)CN5CCCC5=O.Cl |
| InChIKey | VIQMBEAWDPGVQQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:284098
Property Insights of RefChem:284098
The XLogP value of 4.39 indicates that RefChem:284098 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:284098. Following Lipinski's Rule of Five, RefChem:284098 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:284098?
The CAS number of RefChem:284098 is 117039-01-7.
What is the molecular formula of RefChem:284098?
The molecular formula of RefChem:284098 is C27H33ClN4O3S.
What is the molecular weight of RefChem:284098?
The molecular weight of RefChem:284098 is 528.19617 g/mol.
Where can I buy RefChem:284098?
You can request a quote for RefChem:284098 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:284098?
Yes, CoreyChem provides custom synthesis services for RefChem:284098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.