VU0113291-2
TL;DR: VU0113291-2 (CAS 422287-06-7) is a chemical compound with molecular formula C20H18BrN3O3S and molecular weight 459.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: VU0113291-2, F3168-1780, 6-bromo-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one, 6-bromo-3-{[4-(morpholine-4-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-(4-(morpholine-4-carbonyl)benzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C20H18BrN3O3S |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 3.34229 |
| Topological Polar Surface Area | 67.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.02524 |
| Heavy Atoms | 28 |
| Complexity | 1148.055 |
Chemical Identifiers
| CAS Number | 422287-06-7 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
VU0113291-2 (CAS 422287-06-7), with molecular formula C20H18BrN3O3S and molecular weight 459.03 g/mol. IUPAC: 6-bromo-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of VU0113291-2
Property Insights of VU0113291-2
The XLogP value of 3.34229 indicates that VU0113291-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.33 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113291-2. Following Lipinski's Rule of Five, VU0113291-2 has 1 hydrogen bond donor(s) and 4 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 VU0113291-2?
The CAS number of VU0113291-2 is 422287-06-7.
What is the molecular formula of VU0113291-2?
The molecular formula of VU0113291-2 is C20H18BrN3O3S.
What is the molecular weight of VU0113291-2?
The molecular weight of VU0113291-2 is 459.03 g/mol.
Where can I buy VU0113291-2?
You can request a quote for VU0113291-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113291-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113291-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.