C21H19BrO5
TL;DR: C21H19BrO5 (CAS 622360-03-6) is a chemical compound with molecular formula C21H19BrO5 and molecular weight 430.04 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] 2,2-dimethylpropanoate
Also Known As: (2Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate, (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl pivalate, [2-[(5-bromo-2-methoxy-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 2,2-dimethylpropanoate, [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate, 2-[(5-bromo-2-methoxyphenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2,2-dimethy lpropanoate
| Molecular Formula | C21H19BrO5 |
|---|---|
| Molecular Weight | 430.04 g/mol |
| LogP | 5.0254 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.0416 |
| Heavy Atoms | 27 |
| Complexity | 953.5297 |
Chemical Identifiers
| CAS Number | 622360-03-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/O2 |
Product Overview
C21H19BrO5 (CAS 622360-03-6), with molecular formula C21H19BrO5 and molecular weight 430.04 g/mol. IUPAC: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of C21H19BrO5
Property Insights of C21H19BrO5
The XLogP value of 5.0254 indicates that C21H19BrO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H19BrO5. Following Lipinski's Rule of Five, C21H19BrO5 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H19BrO5?
The CAS number of C21H19BrO5 is 622360-03-6.
What is the molecular formula of C21H19BrO5?
The molecular formula of C21H19BrO5 is C21H19BrO5.
What is the molecular weight of C21H19BrO5?
The molecular weight of C21H19BrO5 is 430.04 g/mol.
Where can I buy C21H19BrO5?
You can request a quote for C21H19BrO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H19BrO5?
Yes, KEHONG BIO provides custom synthesis services for C21H19BrO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.