VU0512578-1
TL;DR: VU0512578-1 (CAS 422288-15-1) is a chemical compound with molecular formula C20H28BrN3O3S and molecular weight 469.10 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-(3-propan-2-yloxypropyl)hexanamide
Also Known As: VU0512578-1, F3168-1853, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-propan-2-yloxypropyl)hexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[3-(propan-2-yloxy)propyl]hexanamide, 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-isopropoxypropyl)hexanamide
| Molecular Formula | C20H28BrN3O3S |
|---|---|
| Molecular Weight | 469.10 g/mol |
| LogP | 4.31329 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.1035 |
| Heavy Atoms | 28 |
| Complexity | 907.6846 |
Chemical Identifiers
| CAS Number | 422288-15-1 |
|---|---|
| SMILES | CC(C)OCCCNC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S |
Product Overview
VU0512578-1 (CAS 422288-15-1), with molecular formula C20H28BrN3O3S and molecular weight 469.10 g/mol. IUPAC: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-propan-2-yloxypropyl)hexanamide.
Chemical Property Profile of VU0512578-1
Property Insights of VU0512578-1
The XLogP value of 4.31329 indicates that VU0512578-1 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 VU0512578-1. Following Lipinski's Rule of Five, VU0512578-1 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 VU0512578-1?
The CAS number of VU0512578-1 is 422288-15-1.
What is the molecular formula of VU0512578-1?
The molecular formula of VU0512578-1 is C20H28BrN3O3S.
What is the molecular weight of VU0512578-1?
The molecular weight of VU0512578-1 is 469.10 g/mol.
Where can I buy VU0512578-1?
You can request a quote for VU0512578-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512578-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512578-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.