VU0616678-1
TL;DR: VU0616678-1 (CAS 622794-89-2) is a chemical compound with molecular formula C20H16BrNO5 and molecular weight 429.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
Also Known As: VU0616678-1, (Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate, F3385-0336, (2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl morpholine-4-carboxylate, [(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
| Molecular Formula | C20H16BrNO5 |
|---|---|
| Molecular Weight | 429.02 g/mol |
| LogP | 3.8963 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.02118 |
| Heavy Atoms | 27 |
| Complexity | 916.46936 |
Chemical Identifiers
| CAS Number | 622794-89-2 |
|---|---|
| SMILES | C1COCCN1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)Br)/O3 |
Product Overview
VU0616678-1 (CAS 622794-89-2), with molecular formula C20H16BrNO5 and molecular weight 429.02 g/mol. IUPAC: [(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.
Chemical Property Profile of VU0616678-1
Property Insights of VU0616678-1
The XLogP value of 3.8963 indicates that VU0616678-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0616678-1. Following Lipinski's Rule of Five, VU0616678-1 has 0 hydrogen bond donor(s) and 5 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 VU0616678-1?
The CAS number of VU0616678-1 is 622794-89-2.
What is the molecular formula of VU0616678-1?
The molecular formula of VU0616678-1 is C20H16BrNO5.
What is the molecular weight of VU0616678-1?
The molecular weight of VU0616678-1 is 429.02 g/mol.
Where can I buy VU0616678-1?
You can request a quote for VU0616678-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0616678-1?
Yes, KEHONG BIO provides custom synthesis services for VU0616678-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.