VU0512622-1
TL;DR: VU0512622-1 (CAS 688055-35-8) 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-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Also Known As: VU0512622-1, F3168-2042, 7-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-(3-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-3-oxopropyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one, 7-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
| Molecular Formula | C23H23ClN4O4S |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 3.48851 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.11285 |
| Heavy Atoms | 33 |
| Complexity | 1361.0492 |
Chemical Identifiers
| CAS Number | 688055-35-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
VU0512622-1 (CAS 688055-35-8), with molecular formula C23H23ClN4O4S and molecular weight 486.11 g/mol. IUPAC: 7-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
Chemical Property Profile of VU0512622-1
Property Insights of VU0512622-1
The XLogP value of 3.48851 indicates that VU0512622-1 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 VU0512622-1. Following Lipinski's Rule of Five, VU0512622-1 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 VU0512622-1?
The CAS number of VU0512622-1 is 688055-35-8.
What is the molecular formula of VU0512622-1?
The molecular formula of VU0512622-1 is C23H23ClN4O4S.
What is the molecular weight of VU0512622-1?
The molecular weight of VU0512622-1 is 486.11 g/mol.
Where can I buy VU0512622-1?
You can request a quote for VU0512622-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512622-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512622-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.