![2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide structure](/static/products/896/896697-81-7.png)
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
TL;DR: 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CAS 896697-81-7) is a chemical compound with molecular formula C25H23N5O5S2 and molecular weight 537.11 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-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Also Known As: 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, F6548-4636, 2-((4-(benzo[d][1,3]dioxol-5-ylamino)quinazolin-2-yl)thio)-N-(4-sulfamoylphenethyl)acetamide, 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, 2-[4-(benzo[1,3]dioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
| Molecular Formula | C25H23N5O5S2 |
|---|---|
| Molecular Weight | 537.11 g/mol |
| LogP | 3.2005 |
| Topological Polar Surface Area | 145.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.1141 |
| Heavy Atoms | 37 |
| Complexity | 1562.0492 |
Chemical Identifiers
| CAS Number | 896697-81-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N |
Product Overview
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CAS 896697-81-7), with molecular formula C25H23N5O5S2 and molecular weight 537.11 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
Chemical Property Profile of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Property Insights of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
The XLogP value of 3.2005 indicates that 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.53 Ų indicates high polarity, suggesting 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has 3 hydrogen bond donor(s) and 9 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)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The CAS number of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is 896697-81-7.
What is the molecular formula of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The molecular formula of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is C25H23N5O5S2.
What is the molecular weight of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The molecular weight of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is 537.11 g/mol.
Where can I buy 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
You can request a quote for 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 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)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.