ChemDiv3_012986
TL;DR: ChemDiv3_012986 (CAS 422533-63-9) is a chemical compound with molecular formula C26H24FN3O3S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanone
Also Known As: ChemDiv3_012986, BRD-K95454752-001-01-8, 2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one, F6548-4568, 2-((4-((3,4-dimethoxyphenethyl)amino)quinazolin-2-yl)thio)-1-(4-fluorophenyl)ethanone
| Molecular Formula | C26H24FN3O3S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 5.4157 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 477.15225 |
| Heavy Atoms | 34 |
| Complexity | 1298.4666 |
Chemical Identifiers
| CAS Number | 422533-63-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)F)OC |
Product Overview
ChemDiv3_012986 (CAS 422533-63-9), with molecular formula C26H24FN3O3S and molecular weight 477.15 g/mol. IUPAC: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of ChemDiv3_012986
Property Insights of ChemDiv3_012986
The XLogP value of 5.4157 indicates that ChemDiv3_012986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012986. Following Lipinski's Rule of Five, ChemDiv3_012986 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_012986?
The CAS number of ChemDiv3_012986 is 422533-63-9.
What is the molecular formula of ChemDiv3_012986?
The molecular formula of ChemDiv3_012986 is C26H24FN3O3S.
What is the molecular weight of ChemDiv3_012986?
The molecular weight of ChemDiv3_012986 is 477.15 g/mol.
Where can I buy ChemDiv3_012986?
You can request a quote for ChemDiv3_012986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012986?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.