VU0512572-1
TL;DR: VU0512572-1 (CAS 422287-99-8) is a chemical compound with molecular formula C23H22BrN3O2S and molecular weight 483.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: VU0512572-1, F3168-1843, 6-bromo-3-(4-oxo-4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-bromo-3-[4-oxo-4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-[4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C23H22BrN3O2S |
|---|---|
| Molecular Weight | 483.06 g/mol |
| LogP | 4.91769 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.0616 |
| Heavy Atoms | 30 |
| Complexity | 1230.6671 |
Chemical Identifiers
| CAS Number | 422287-99-8 |
|---|---|
| SMILES | C1CN(CC=C1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
VU0512572-1 (CAS 422287-99-8), with molecular formula C23H22BrN3O2S and molecular weight 483.06 g/mol. IUPAC: 6-bromo-3-[4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of VU0512572-1
Property Insights of VU0512572-1
The XLogP value of 4.91769 indicates that VU0512572-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, VU0512572-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0512572-1 has 1 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 VU0512572-1?
The CAS number of VU0512572-1 is 422287-99-8.
What is the molecular formula of VU0512572-1?
The molecular formula of VU0512572-1 is C23H22BrN3O2S.
What is the molecular weight of VU0512572-1?
The molecular weight of VU0512572-1 is 483.06 g/mol.
Where can I buy VU0512572-1?
You can request a quote for VU0512572-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512572-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512572-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.