ChemDiv1_013028
TL;DR: ChemDiv1_013028 (CAS 422276-11-7) is a chemical compound with molecular formula C26H28F3N3O3S and molecular weight 519.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013028, BRD-K07983843-001-01-4, F0916-4130, 3-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-(6-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)-6-oxohexyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C26H28F3N3O3S |
|---|---|
| Molecular Weight | 519.18 g/mol |
| LogP | 5.14849 |
| Topological Polar Surface Area | 78.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.18036 |
| Heavy Atoms | 36 |
| Complexity | 1358.0222 |
Chemical Identifiers
| CAS Number | 422276-11-7 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S |
Product Overview
ChemDiv1_013028 (CAS 422276-11-7), with molecular formula C26H28F3N3O3S and molecular weight 519.18 g/mol. IUPAC: 3-[6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013028
Property Insights of ChemDiv1_013028
The XLogP value of 5.14849 indicates that ChemDiv1_013028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013028. Following Lipinski's Rule of Five, ChemDiv1_013028 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013028?
The CAS number of ChemDiv1_013028 is 422276-11-7.
What is the molecular formula of ChemDiv1_013028?
The molecular formula of ChemDiv1_013028 is C26H28F3N3O3S.
What is the molecular weight of ChemDiv1_013028?
The molecular weight of ChemDiv1_013028 is 519.18 g/mol.
Where can I buy ChemDiv1_013028?
You can request a quote for ChemDiv1_013028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013028?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.