VU0113317-2
TL;DR: VU0113317-2 (CAS 688053-67-0) is a chemical compound with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[6-oxo-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)hexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Also Known As: VU0113317-2, F3168-1955, 7-[6-oxo-6-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)hexyl]-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-[6-oxo-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)hexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-(6-oxo-6-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)hexyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
| Molecular Formula | C26H27N3O4S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 4.66409 |
| Topological Polar Surface Area | 76.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.17224 |
| Heavy Atoms | 34 |
| Complexity | 1360.2037 |
Chemical Identifiers
| CAS Number | 688053-67-0 |
|---|---|
| SMILES | C1CN(CC=C1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
VU0113317-2 (CAS 688053-67-0), with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol. IUPAC: 7-[6-oxo-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)hexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
Chemical Property Profile of VU0113317-2
Property Insights of VU0113317-2
The XLogP value of 4.66409 indicates that VU0113317-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.56 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113317-2. Following Lipinski's Rule of Five, VU0113317-2 has 1 hydrogen bond donor(s) and 5 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 VU0113317-2?
The CAS number of VU0113317-2 is 688053-67-0.
What is the molecular formula of VU0113317-2?
The molecular formula of VU0113317-2 is C26H27N3O4S.
What is the molecular weight of VU0113317-2?
The molecular weight of VU0113317-2 is 477.17 g/mol.
Where can I buy VU0113317-2?
You can request a quote for VU0113317-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113317-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113317-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.