![4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide structure](/static/products/6880/688059-92-9.webp)
4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide
TL;DR: 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide (CAS 688059-92-9) is a chemical compound with molecular formula C28H26FN3O5S and molecular weight 535.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-[(3-fluorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Also Known As: 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide, F3168-2154, 4-[6-[(3-fluorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]butanamide, 4-(6-((3-fluorobenzyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(4-methoxybenzyl)butanamide, 4-[6-[(3-fluorobenzyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)butanamide
| Molecular Formula | C28H26FN3O5S |
|---|---|
| Molecular Weight | 535.16 g/mol |
| LogP | 4.6618 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 535.1577 |
| Heavy Atoms | 38 |
| Complexity | 1523.9509 |
Chemical Identifiers
| CAS Number | 688059-92-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC4=C(C=C3N=C2SCC5=CC(=CC=C5)F)OCO4 |
Product Overview
4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide (CAS 688059-92-9), with molecular formula C28H26FN3O5S and molecular weight 535.16 g/mol. IUPAC: 4-[6-[(3-fluorophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]butanamide.
Chemical Property Profile of 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide
Property Insights of 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide
The XLogP value of 4.6618 indicates that 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide. Following Lipinski's Rule of Five, 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide has 1 hydrogen bond donor(s) and 7 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-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
The CAS number of 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide is 688059-92-9.
What is the molecular formula of 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
The molecular formula of 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide is C28H26FN3O5S.
What is the molecular weight of 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
The molecular weight of 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide is 535.16 g/mol.
Where can I buy 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
You can request a quote for 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]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-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.