VU0113371-2
TL;DR: VU0113371-2 (CAS 688055-47-2) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: VU0113371-2, F3168-2048, N-butyl-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-butyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide, N-butyl-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.36599 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1181.481 |
Chemical Identifiers
| CAS Number | 688055-47-2 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 |
Product Overview
VU0113371-2 (CAS 688055-47-2), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: N-butyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of VU0113371-2
Property Insights of VU0113371-2
The XLogP value of 3.36599 indicates that VU0113371-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113371-2. Following Lipinski's Rule of Five, VU0113371-2 has 2 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 VU0113371-2?
The CAS number of VU0113371-2 is 688055-47-2.
What is the molecular formula of VU0113371-2?
The molecular formula of VU0113371-2 is C21H21N3O4S.
What is the molecular weight of VU0113371-2?
The molecular weight of VU0113371-2 is 411.13 g/mol.
Where can I buy VU0113371-2?
You can request a quote for VU0113371-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113371-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113371-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.