VU0146500-2
TL;DR: VU0146500-2 (CAS 688055-63-2) is a chemical compound with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Also Known As: VU0146500-2, F3168-2064, 6-sulfanylidene-7-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl]methyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-(4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one, 7-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
| Molecular Formula | C26H21N3O4S |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.03459 |
| Topological Polar Surface Area | 76.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.12527 |
| Heavy Atoms | 34 |
| Complexity | 1555.603 |
Chemical Identifiers
| CAS Number | 688055-63-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC6=C(C=C5NC4=S)OCO6 |
Product Overview
VU0146500-2 (CAS 688055-63-2), with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol. IUPAC: 7-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
Chemical Property Profile of VU0146500-2
Property Insights of VU0146500-2
The XLogP value of 4.03459 indicates that VU0146500-2 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 VU0146500-2. Following Lipinski's Rule of Five, VU0146500-2 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 VU0146500-2?
The CAS number of VU0146500-2 is 688055-63-2.
What is the molecular formula of VU0146500-2?
The molecular formula of VU0146500-2 is C26H21N3O4S.
What is the molecular weight of VU0146500-2?
The molecular weight of VU0146500-2 is 471.13 g/mol.
Where can I buy VU0146500-2?
You can request a quote for VU0146500-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0146500-2?
Yes, KEHONG BIO provides custom synthesis services for VU0146500-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.