![2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide structure](/static/products/6883/688355-91-1.webp)
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
TL;DR: 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CAS 688355-91-1) is a chemical compound with molecular formula C27H26N4O5S and molecular weight 518.16 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-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, F6548-4634, 2-((4-(benzo[d][1,3]dioxol-5-ylamino)quinazolin-2-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide, 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
| Molecular Formula | C27H26N4O5S |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 4.5703 |
| Topological Polar Surface Area | 103.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.1624 |
| Heavy Atoms | 37 |
| Complexity | 1431.5885 |
Chemical Identifiers
| CAS Number | 688355-91-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5)OC |
Product Overview
2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CAS 688355-91-1), with molecular formula C27H26N4O5S and molecular weight 518.16 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Property Insights of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
The XLogP value of 4.5703 indicates that 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.83 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)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide. Following Lipinski's Rule of Five, 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has 2 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-(3,4-dimethoxyphenyl)ethyl]acetamide?
The CAS number of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is 688355-91-1.
What is the molecular formula of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The molecular formula of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is C27H26N4O5S.
What is the molecular weight of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The molecular weight of 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is 518.16 g/mol.
Where can I buy 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
You can request a quote for 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.