VU0113321-2
TL;DR: VU0113321-2 (CAS 422287-32-9) is a chemical compound with molecular formula C24H20BrN3O2S and molecular weight 493.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(2-phenylethyl)benzamide
Also Known As: VU0113321-2, F3168-1800, 4-((6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-phenethylbenzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(2-phenylethyl)benzamide
| Molecular Formula | C24H20BrN3O2S |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 4.84239 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.04596 |
| Heavy Atoms | 31 |
| Complexity | 1345.6182 |
Chemical Identifiers
| CAS Number | 422287-32-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
VU0113321-2 (CAS 422287-32-9), with molecular formula C24H20BrN3O2S and molecular weight 493.05 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(2-phenylethyl)benzamide.
Chemical Property Profile of VU0113321-2
Property Insights of VU0113321-2
The XLogP value of 4.84239 indicates that VU0113321-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113321-2. Following Lipinski's Rule of Five, VU0113321-2 has 2 hydrogen bond donor(s) and 3 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 VU0113321-2?
The CAS number of VU0113321-2 is 422287-32-9.
What is the molecular formula of VU0113321-2?
The molecular formula of VU0113321-2 is C24H20BrN3O2S.
What is the molecular weight of VU0113321-2?
The molecular weight of VU0113321-2 is 493.05 g/mol.
Where can I buy VU0113321-2?
You can request a quote for VU0113321-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113321-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113321-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.