![4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide structure](/static/products/6880/688062-26-2.webp)
4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
TL;DR: 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CAS 688062-26-2) is a chemical compound with molecular formula C29H28N4O7S and molecular weight 576.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Also Known As: 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide, F3168-2386, 4-((6-((2-amino-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)-N-(3,4-dimethoxyphenethyl)benzamide, 4-[[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
| Molecular Formula | C29H28N4O7S |
|---|---|
| Molecular Weight | 576.17 g/mol |
| LogP | 2.7406 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 576.16785 |
| Heavy Atoms | 41 |
| Complexity | 1671.0771 |
Chemical Identifiers
| CAS Number | 688062-26-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)N)OCO5)OC |
Product Overview
4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CAS 688062-26-2), with molecular formula C29H28N4O7S and molecular weight 576.17 g/mol. IUPAC: 4-[[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
Chemical Property Profile of 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Property Insights of 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
The XLogP value of 2.7406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide. The TPSA of 144.0 Ų indicates high polarity, suggesting 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide 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 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The CAS number of 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is 688062-26-2.
What is the molecular formula of 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The molecular formula of 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is C29H28N4O7S.
What is the molecular weight of 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The molecular weight of 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is 576.17 g/mol.
Where can I buy 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
You can request a quote for 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-({6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.