VU0512569-1
TL;DR: VU0512569-1 (CAS 422287-85-2) is a chemical compound with molecular formula C19H17BrClN3O2S and molecular weight 464.99 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)-N-[(2-chlorophenyl)methyl]butanamide
Also Known As: VU0512569-1, F3168-1832, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-chlorobenzyl)butanamide
| Molecular Formula | C19H17BrClN3O2S |
|---|---|
| Molecular Weight | 464.99 g/mol |
| LogP | 4.57159 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.99133 |
| Heavy Atoms | 27 |
| Complexity | 1110.0404 |
Chemical Identifiers
| CAS Number | 422287-85-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl |
Product Overview
VU0512569-1 (CAS 422287-85-2), with molecular formula C19H17BrClN3O2S and molecular weight 464.99 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide.
Chemical Property Profile of VU0512569-1
Property Insights of VU0512569-1
The XLogP value of 4.57159 indicates that VU0512569-1 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 VU0512569-1. Following Lipinski's Rule of Five, VU0512569-1 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 VU0512569-1?
The CAS number of VU0512569-1 is 422287-85-2.
What is the molecular formula of VU0512569-1?
The molecular formula of VU0512569-1 is C19H17BrClN3O2S.
What is the molecular weight of VU0512569-1?
The molecular weight of VU0512569-1 is 464.99 g/mol.
Where can I buy VU0512569-1?
You can request a quote for VU0512569-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512569-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512569-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.