VU0247712-4
TL;DR: VU0247712-4 (CAS 688060-87-9) is a chemical compound with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Also Known As: VU0247712-4, 6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]hexanamide, 6-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide, 6-[6-[(cyanomethyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)hexanamide, 6-(6-((cyanomethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(4-methoxybenzyl)hexanamide
| Molecular Formula | C25H26N4O5S |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | 3.62628 |
| Topological Polar Surface Area | 115.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.16238 |
| Heavy Atoms | 35 |
| Complexity | 1300.4307 |
Chemical Identifiers
| CAS Number | 688060-87-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC4=C(C=C3N=C2SCC#N)OCO4 |
Product Overview
VU0247712-4 (CAS 688060-87-9), with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol. IUPAC: 6-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide.
Chemical Property Profile of VU0247712-4
Property Insights of VU0247712-4
The XLogP value of 3.62628 indicates that VU0247712-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.47 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0247712-4. Following Lipinski's Rule of Five, VU0247712-4 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0247712-4?
The CAS number of VU0247712-4 is 688060-87-9.
What is the molecular formula of VU0247712-4?
The molecular formula of VU0247712-4 is C25H26N4O5S.
What is the molecular weight of VU0247712-4?
The molecular weight of VU0247712-4 is 494.16 g/mol.
Where can I buy VU0247712-4?
You can request a quote for VU0247712-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0247712-4?
Yes, KEHONG BIO provides custom synthesis services for VU0247712-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.