![2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone structure](/static/products/896/896798-32-6.png)
2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone
TL;DR: 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone (CAS 896798-32-6) is a chemical compound with molecular formula C23H17N3O3S and molecular weight 415.10 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-phenylethanone
Also Known As: F6548-4629, 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-phenylethan-1-one, 2-((4-(benzo[d][1,3]dioxol-5-ylamino)quinazolin-2-yl)thio)-1-phenylethanone, 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone, 2-[4-(benzo[1,3]dioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone
| Molecular Formula | C23H17N3O3S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 5.0771 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.09906 |
| Heavy Atoms | 30 |
| Complexity | 1231.0338 |
Chemical Identifiers
| CAS Number | 896798-32-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=CC=C5 |
Product Overview
2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone (CAS 896798-32-6), with molecular formula C23H17N3O3S and molecular weight 415.10 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone
Property Insights of 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone
The XLogP value of 5.0771 indicates that 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone 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-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone 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-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone?
The CAS number of 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone is 896798-32-6.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone is C23H17N3O3S.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone is 415.10 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.