VU0616668-1
TL;DR: VU0616668-1 (CAS 622794-44-9) is a chemical compound with molecular formula C21H18BrNO6 and molecular weight 459.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
Also Known As: VU0616668-1, (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate, F3385-0296, (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl morpholine-4-carboxylate, [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
| Molecular Formula | C21H18BrNO6 |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 3.9049 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.03174 |
| Heavy Atoms | 29 |
| Complexity | 996.661 |
Chemical Identifiers
| CAS Number | 622794-44-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)N4CCOCC4 |
Product Overview
VU0616668-1 (CAS 622794-44-9), with molecular formula C21H18BrNO6 and molecular weight 459.03 g/mol. IUPAC: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.
Chemical Property Profile of VU0616668-1
Property Insights of VU0616668-1
The XLogP value of 3.9049 indicates that VU0616668-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0616668-1. Following Lipinski's Rule of Five, VU0616668-1 has 0 hydrogen bond donor(s) and 6 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 VU0616668-1?
The CAS number of VU0616668-1 is 622794-44-9.
What is the molecular formula of VU0616668-1?
The molecular formula of VU0616668-1 is C21H18BrNO6.
What is the molecular weight of VU0616668-1?
The molecular weight of VU0616668-1 is 459.03 g/mol.
Where can I buy VU0616668-1?
You can request a quote for VU0616668-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0616668-1?
Yes, KEHONG BIO provides custom synthesis services for VU0616668-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.