RefChem:284102
TL;DR: RefChem:284102 (CAS 117039-00-6) 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.
3-(4-methylphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride, 3-(4-methylphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one hydrochloride, 3-(4-methylphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one, 3-(4-Methylphenyl)-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 | C27H33ClN4O2S |
| Molecular Weight | 512.2013 g/mol |
| XLogP | 4.68 |
| 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 | 760.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCC4)CN5CCCC5=O.Cl |
| InChIKey | ZIVUXXWXPYSGBW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:284102
Property Insights of RefChem:284102
The XLogP value of 4.68 indicates that RefChem:284102 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:284102. Following Lipinski's Rule of Five, RefChem:284102 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:284102?
The CAS number of RefChem:284102 is 117039-00-6.
What is the molecular formula of RefChem:284102?
The molecular formula of RefChem:284102 is C27H33ClN4O2S.
What is the molecular weight of RefChem:284102?
The molecular weight of RefChem:284102 is 512.2013 g/mol.
Where can I buy RefChem:284102?
You can request a quote for RefChem:284102 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:284102?
Yes, CoreyChem provides custom synthesis services for RefChem:284102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.