![1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one structure](/static/products/6883/688355-57-9.webp)
1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
TL;DR: 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one (CAS 688355-57-9) is a chemical compound with molecular formula C24H20FN3O2S and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
Also Known As: 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one, F6548-4602, 1-(3-(((4-((4-fluorophenyl)amino)quinazolin-2-yl)thio)methyl)-4-methoxyphenyl)ethanone, 1-[3-[[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone, 1-[3-[[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone
| Molecular Formula | C24H20FN3O2S |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 6.016 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.12604 |
| Heavy Atoms | 31 |
| Complexity | 1245.5137 |
Chemical Identifiers
| CAS Number | 688355-57-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F |
Product Overview
1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one (CAS 688355-57-9), with molecular formula C24H20FN3O2S and molecular weight 433.13 g/mol. IUPAC: 1-[3-[[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone.
Chemical Property Profile of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
Property Insights of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
The XLogP value of 6.016 indicates that 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one. Following Lipinski's Rule of Five, 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
The CAS number of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is 688355-57-9.
What is the molecular formula of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
The molecular formula of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is C24H20FN3O2S.
What is the molecular weight of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
The molecular weight of 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is 433.13 g/mol.
Where can I buy 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
You can request a quote for 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4-methoxyphenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.