![6-{6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide structure](/static/products/6880/688060-97-1.webp)
6-{6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
TL;DR: 6-{6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide (CAS 688060-97-1) is a chemical compound with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Also Known As: 6-{6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide, F3168-2264, 6-(6-((2-amino-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(4-methoxybenzyl)hexanamide, 6-[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
| Molecular Formula | C25H28N4O6S |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | 2.588 |
| Topological Polar Surface Area | 134.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 512.173 |
| Heavy Atoms | 36 |
| Complexity | 1308.6327 |
Chemical Identifiers
| CAS Number | 688060-97-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC4=C(C=C3N=C2SCC(=O)N)OCO4 |
Product Overview
6-{6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide (CAS 688060-97-1), with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol. IUPAC: 6-[6-(2-amino-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-[(carbamoylmethyl)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-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
The XLogP value of 2.588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{6-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide. The TPSA of 134.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{6-[(carbamoylmethyl)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-[(carbamoylmethyl)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-[(carbamoylmethyl)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-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide is 688060-97-1.
What is the molecular formula of 6-{6-[(carbamoylmethyl)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-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide is C25H28N4O6S.
What is the molecular weight of 6-{6-[(carbamoylmethyl)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-[(carbamoylmethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide is 512.17 g/mol.
Where can I buy 6-{6-[(carbamoylmethyl)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-[(carbamoylmethyl)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-[(carbamoylmethyl)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-[(carbamoylmethyl)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.