![6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide structure](/static/products/6880/688060-98-2.webp)
6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide
TL;DR: 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide (CAS 688060-98-2) is a chemical compound with molecular formula C31H38N4O6S and molecular weight 594.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Also Known As: 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide, F3168-2266, 6-[6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide, 6-[6-{[2-(cyclohexylamino)-2-oxoethyl]thio}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)hexanamide, 6-(6-((2-(cyclohexylamino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(4-methoxybenzyl)hexanamide
| Molecular Formula | C31H38N4O6S |
|---|---|
| Molecular Weight | 594.25 g/mol |
| LogP | 4.5516 |
| Topological Polar Surface Area | 120.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 594.2512 |
| Heavy Atoms | 42 |
| Complexity | 1452.5416 |
Chemical Identifiers
| CAS Number | 688060-98-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC4=C(C=C3N=C2SCC(=O)NC5CCCCC5)OCO4 |
Product Overview
6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide (CAS 688060-98-2), with molecular formula C31H38N4O6S and molecular weight 594.25 g/mol. IUPAC: 6-[6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide.
Chemical Property Profile of 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide
Property Insights of 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide
The XLogP value of 4.5516 indicates that 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide. Following Lipinski's Rule of Five, 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide has 2 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 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide?
The CAS number of 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide is 688060-98-2.
What is the molecular formula of 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide?
The molecular formula of 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide is C31H38N4O6S.
What is the molecular weight of 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide?
The molecular weight of 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide is 594.25 g/mol.
Where can I buy 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide?
You can request a quote for 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[(4-methoxyphenyl)methyl]hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.