RefChem:284138
TL;DR: RefChem:284138 (CAS 81279-29-0) is a chemical compound with molecular formula C27H25FN4O2S and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(m-fluorophenyl)-2-((((4-(p-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-, 3-(m-Fluorophenyl)-2-((((4-(p-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-4(3H)-quinazolinone, 3-(3-fluorophenyl)-2-({2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one, 3-(3-fluorophenyl)-2-({2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one, 3-(3-Fluorophenyl)-2-[[[[4-(4-methylphenyl)piperazin-1-yl]carbonyl]methyl]thio]quinazolin-4(3H)-one
| Molecular Formula | C27H25FN4O2S |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.1682 |
| Heavy Atoms | 35 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 81279-29-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F |
| InChIKey | PXGQMILONYMCSX-UHFFFAOYSA-N |
Product Overview
RefChem:284138 (CAS 81279-29-0), with molecular formula C27H25FN4O2S and molecular weight 488.17 g/mol. IUPAC: 3-(3-fluorophenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one.
Chemical Property Profile of RefChem:284138
Property Insights of RefChem:284138
The XLogP value of 5.0 indicates that RefChem:284138 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:284138. Following Lipinski's Rule of Five, RefChem:284138 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:284138?
The CAS number of RefChem:284138 is 81279-29-0.
What is the molecular formula of RefChem:284138?
The molecular formula of RefChem:284138 is C27H25FN4O2S.
What is the molecular weight of RefChem:284138?
The molecular weight of RefChem:284138 is 488.17 g/mol.
Where can I buy RefChem:284138?
You can request a quote for RefChem:284138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.