VU0113359-2
TL;DR: VU0113359-2 (CAS 688054-75-3) is a chemical compound with molecular formula C23H23ClN4O4S and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Also Known As: VU0113359-2, F3168-2017, 7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-(4-(4-(3-chlorophenyl)piperazin-1-yl)-4-oxobutyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
| Molecular Formula | C23H23ClN4O4S |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 3.57019 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.11285 |
| Heavy Atoms | 33 |
| Complexity | 1330.2665 |
Chemical Identifiers
| CAS Number | 688054-75-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
VU0113359-2 (CAS 688054-75-3), with molecular formula C23H23ClN4O4S and molecular weight 486.11 g/mol. IUPAC: 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
Chemical Property Profile of VU0113359-2
Property Insights of VU0113359-2
The XLogP value of 3.57019 indicates that VU0113359-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113359-2. Following Lipinski's Rule of Five, VU0113359-2 has 1 hydrogen bond donor(s) and 6 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 VU0113359-2?
The CAS number of VU0113359-2 is 688054-75-3.
What is the molecular formula of VU0113359-2?
The molecular formula of VU0113359-2 is C23H23ClN4O4S.
What is the molecular weight of VU0113359-2?
The molecular weight of VU0113359-2 is 486.11 g/mol.
Where can I buy VU0113359-2?
You can request a quote for VU0113359-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113359-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113359-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.