VU0512581-1
TL;DR: VU0512581-1 (CAS 422288-29-7) is a chemical compound with molecular formula C21H21BrClN3O2S and molecular weight 493.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide
Also Known As: VU0512581-1, F3168-1865, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide, 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(4-chlorobenzyl)hexanamide
| Molecular Formula | C21H21BrClN3O2S |
|---|---|
| Molecular Weight | 493.02 g/mol |
| LogP | 5.35179 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.02264 |
| Heavy Atoms | 29 |
| Complexity | 1125.4597 |
Chemical Identifiers
| CAS Number | 422288-29-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl |
Product Overview
VU0512581-1 (CAS 422288-29-7), with molecular formula C21H21BrClN3O2S and molecular weight 493.02 g/mol. IUPAC: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide.
Chemical Property Profile of VU0512581-1
Property Insights of VU0512581-1
The XLogP value of 5.35179 indicates that VU0512581-1 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 VU0512581-1. Following Lipinski's Rule of Five, VU0512581-1 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0512581-1?
The CAS number of VU0512581-1 is 422288-29-7.
What is the molecular formula of VU0512581-1?
The molecular formula of VU0512581-1 is C21H21BrClN3O2S.
What is the molecular weight of VU0512581-1?
The molecular weight of VU0512581-1 is 493.02 g/mol.
Where can I buy VU0512581-1?
You can request a quote for VU0512581-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512581-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512581-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.