![ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate structure](/static/products/6880/688059-48-5.webp)
ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate
TL;DR: ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate (CAS 688059-48-5) is a chemical compound with molecular formula C24H23N3O8S and molecular weight 513.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[7-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate, F3168-2098, ethyl 2-[[7-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetate, ethyl [(7-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-3-oxopropyl}-8-oxo-7,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio]acetate, ethyl 2-((7-(3-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-3-oxopropyl)-8-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio)acetate
| Molecular Formula | C24H23N3O8S |
|---|---|
| Molecular Weight | 513.12 g/mol |
| LogP | 2.2156 |
| Topological Polar Surface Area | 127.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.1206 |
| Heavy Atoms | 36 |
| Complexity | 1390.0148 |
Chemical Identifiers
| CAS Number | 688059-48-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CCC(=O)NCC4=CC5=C(C=C4)OCO5)OCO3 |
Product Overview
ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate (CAS 688059-48-5), with molecular formula C24H23N3O8S and molecular weight 513.12 g/mol. IUPAC: ethyl 2-[[7-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate
Property Insights of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate
The XLogP value of 2.2156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate. The TPSA of 127.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate?
The CAS number of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate is 688059-48-5.
What is the molecular formula of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate is C24H23N3O8S.
What is the molecular weight of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate is 513.12 g/mol.
Where can I buy ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[7-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}ethyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.