VU0198894-3
TL;DR: VU0198894-3 (CAS 688059-89-4) is a chemical compound with molecular formula C23H22N4O5S and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Also Known As: VU0198894-3, AB00520880-07, 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(4-methoxyphenyl)methyl]butanamide, F3168-2151, 4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]butanamide
| Molecular Formula | C23H22N4O5S |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 2.84608 |
| Topological Polar Surface Area | 115.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.1311 |
| Heavy Atoms | 33 |
| Complexity | 1267.0575 |
Chemical Identifiers
| CAS Number | 688059-89-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC4=C(C=C3N=C2SCC#N)OCO4 |
Product Overview
VU0198894-3 (CAS 688059-89-4), with molecular formula C23H22N4O5S and molecular weight 466.13 g/mol. IUPAC: 4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]butanamide.
Chemical Property Profile of VU0198894-3
Property Insights of VU0198894-3
The XLogP value of 2.84608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0198894-3. The TPSA of 115.47 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0198894-3. Following Lipinski's Rule of Five, VU0198894-3 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 VU0198894-3?
The CAS number of VU0198894-3 is 688059-89-4.
What is the molecular formula of VU0198894-3?
The molecular formula of VU0198894-3 is C23H22N4O5S.
What is the molecular weight of VU0198894-3?
The molecular weight of VU0198894-3 is 466.13 g/mol.
Where can I buy VU0198894-3?
You can request a quote for VU0198894-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0198894-3?
Yes, KEHONG BIO provides custom synthesis services for VU0198894-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.