![4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide structure](/static/products/6880/688060-44-8.webp)
4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
TL;DR: 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide (CAS 688060-44-8) is a chemical compound with molecular formula C25H26N4O6S and molecular weight 510.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Also Known As: 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide, F3168-2216, 4-(6-((cyanomethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(3,4-dimethoxyphenethyl)butanamide, 4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
| Molecular Formula | C25H26N4O6S |
|---|---|
| Molecular Weight | 510.16 g/mol |
| LogP | 2.89718 |
| Topological Polar Surface Area | 124.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.15732 |
| Heavy Atoms | 36 |
| Complexity | 1367.3823 |
Chemical Identifiers
| CAS Number | 688060-44-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC4=C(C=C3N=C2SCC#N)OCO4)OC |
Product Overview
4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide (CAS 688060-44-8), with molecular formula C25H26N4O6S and molecular weight 510.16 g/mol. IUPAC: 4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide.
Chemical Property Profile of 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Property Insights of 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
The XLogP value of 2.89718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide. The TPSA of 124.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide. Following Lipinski's Rule of Five, 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide has 1 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-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The CAS number of 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide is 688060-44-8.
What is the molecular formula of 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The molecular formula of 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide is C25H26N4O6S.
What is the molecular weight of 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The molecular weight of 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide is 510.16 g/mol.
Where can I buy 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
You can request a quote for 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.