![1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone structure](/static/products/6883/688356-16-3.webp)
1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone
TL;DR: 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone (CAS 688356-16-3) is a chemical compound with molecular formula C22H14ClF2N3OS and molecular weight 441.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone
Also Known As: 1-(4-chlorophenyl)-2-({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one, K297-0857, F6548-4711, 1-(4-chlorophenyl)-2-((4-((3,4-difluorophenyl)amino)quinazolin-2-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone
| Molecular Formula | C22H14ClF2N3OS |
|---|---|
| Molecular Weight | 441.05 g/mol |
| LogP | 6.28 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.05142 |
| Heavy Atoms | 30 |
| Complexity | 1234.9681 |
Chemical Identifiers
| CAS Number | 688356-16-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)Cl)NC4=CC(=C(C=C4)F)F |
Product Overview
1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone (CAS 688356-16-3), with molecular formula C22H14ClF2N3OS and molecular weight 441.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone
Property Insights of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone
The XLogP value of 6.28 indicates that 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone?
The CAS number of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone is 688356-16-3.
What is the molecular formula of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone?
The molecular formula of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone is C22H14ClF2N3OS.
What is the molecular weight of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone?
The molecular weight of 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone is 441.05 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone?
You can request a quote for 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.