VU0079778-2
TL;DR: VU0079778-2 (CAS 422287-89-6) is a chemical compound with molecular formula C20H20BrN3O3S and molecular weight 461.04 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-[(4-methoxyphenyl)methyl]butanamide
Also Known As: VU0079778-2, F3168-1836, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]butanamide, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(4-methoxybenzyl)butanamide, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]butanamide
| Molecular Formula | C20H20BrN3O3S |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 3.92679 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.0409 |
| Heavy Atoms | 28 |
| Complexity | 1106.3644 |
Chemical Identifiers
| CAS Number | 422287-89-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
VU0079778-2 (CAS 422287-89-6), with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]butanamide.
Chemical Property Profile of VU0079778-2
Property Insights of VU0079778-2
The XLogP value of 3.92679 indicates that VU0079778-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0079778-2. Following Lipinski's Rule of Five, VU0079778-2 has 2 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 VU0079778-2?
The CAS number of VU0079778-2 is 422287-89-6.
What is the molecular formula of VU0079778-2?
The molecular formula of VU0079778-2 is C20H20BrN3O3S.
What is the molecular weight of VU0079778-2?
The molecular weight of VU0079778-2 is 461.04 g/mol.
Where can I buy VU0079778-2?
You can request a quote for VU0079778-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0079778-2?
Yes, KEHONG BIO provides custom synthesis services for VU0079778-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.