![2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one structure](/static/products/6883/688355-97-7.webp)
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one
TL;DR: 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one (CAS 688355-97-7) is a chemical compound with molecular formula C23H15Cl2N3O3S and molecular weight 483.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(3,4-dichlorophenyl)ethanone
Also Known As: 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one, F6548-4648, 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(3,4-dichlorophenyl)ethanone, 2-[4-(benzo[1,3]dioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(3,4-dichlorophenyl)ethanone, 2-{[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio}-1-(3,4-dichlorophenyl)ethanone
| Molecular Formula | C23H15Cl2N3O3S |
|---|---|
| Molecular Weight | 483.02 g/mol |
| LogP | 6.3839 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.02112 |
| Heavy Atoms | 32 |
| Complexity | 1349.6249 |
Chemical Identifiers
| CAS Number | 688355-97-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC(=C(C=C5)Cl)Cl |
Product Overview
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one (CAS 688355-97-7), with molecular formula C23H15Cl2N3O3S and molecular weight 483.02 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(3,4-dichlorophenyl)ethanone.
Chemical Property Profile of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one
Property Insights of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one
The XLogP value of 6.3839 indicates that 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one 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 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one 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 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one?
The CAS number of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one is 688355-97-7.
What is the molecular formula of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one?
The molecular formula of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one is C23H15Cl2N3O3S.
What is the molecular weight of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one?
The molecular weight of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one is 483.02 g/mol.
Where can I buy 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one?
You can request a quote for 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)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 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(3,4-dichlorophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.