![3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide structure](/static/products/6880/688059-61-2.webp)
3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
TL;DR: 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CAS 688059-61-2) is a chemical compound with molecular formula C29H28ClN3O6S and molecular weight 581.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[(4-chlorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Also Known As: 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide, F3168-2125, 3-(6-((4-chlorobenzyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(3,4-dimethoxyphenethyl)propanamide, 3-[6-[(4-chlorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
| Molecular Formula | C29H28ClN3O6S |
|---|---|
| Molecular Weight | 581.14 g/mol |
| LogP | 4.8371 |
| Topological Polar Surface Area | 100.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 581.13873 |
| Heavy Atoms | 40 |
| Complexity | 1591.9926 |
Chemical Identifiers
| CAS Number | 688059-61-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC4=C(C=C3N=C2SCC5=CC=C(C=C5)Cl)OCO4)OC |
Product Overview
3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CAS 688059-61-2), with molecular formula C29H28ClN3O6S and molecular weight 581.14 g/mol. IUPAC: 3-[6-[(4-chlorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
Chemical Property Profile of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Property Insights of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
The XLogP value of 4.8371 indicates that 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide. Following Lipinski's Rule of Five, 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The CAS number of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is 688059-61-2.
What is the molecular formula of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The molecular formula of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is C29H28ClN3O6S.
What is the molecular weight of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The molecular weight of 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is 581.14 g/mol.
Where can I buy 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
You can request a quote for 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.