VU0191336-4
TL;DR: VU0191336-4 (CAS 688055-66-5) is a chemical compound with molecular formula C24H24N4O6S and molecular weight 496.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoyl]piperazine-1-carboxylate
Also Known As: VU0191336-4, ethyl 4-[4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzoyl]piperazine-1-carboxylate, ethyl 4-[4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoyl]piperazine-1-carboxylate, ethyl 4-{4-[(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzoyl}piperazine-1-carboxylate, ethyl 4-(4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoyl)piperazine-1-carboxylate
| Molecular Formula | C24H24N4O6S |
|---|---|
| Molecular Weight | 496.14 g/mol |
| LogP | 2.75039 |
| Topological Polar Surface Area | 106.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.14166 |
| Heavy Atoms | 35 |
| Complexity | 1406.5121 |
Chemical Identifiers
| CAS Number | 688055-66-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
VU0191336-4 (CAS 688055-66-5), with molecular formula C24H24N4O6S and molecular weight 496.14 g/mol. IUPAC: ethyl 4-[4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of VU0191336-4
Property Insights of VU0191336-4
The XLogP value of 2.75039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0191336-4. The TPSA of 106.1 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0191336-4. Following Lipinski's Rule of Five, VU0191336-4 has 1 hydrogen bond donor(s) and 7 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 VU0191336-4?
The CAS number of VU0191336-4 is 688055-66-5.
What is the molecular formula of VU0191336-4?
The molecular formula of VU0191336-4 is C24H24N4O6S.
What is the molecular weight of VU0191336-4?
The molecular weight of VU0191336-4 is 496.14 g/mol.
Where can I buy VU0191336-4?
You can request a quote for VU0191336-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0191336-4?
Yes, KEHONG BIO provides custom synthesis services for VU0191336-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.