C20H17BrO4
TL;DR: C20H17BrO4 (CAS 622360-34-3) is a chemical compound with molecular formula C20H17BrO4 and molecular weight 400.03 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] 2,2-dimethylpropanoate
Also Known As: (2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate, (Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl pivalate, [(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate, 2-[(4-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2,2-dimethylpropanoat e
| Molecular Formula | C20H17BrO4 |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | 5.0168 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.031 |
| Heavy Atoms | 25 |
| Complexity | 873.55945 |
Chemical Identifiers
| CAS Number | 622360-34-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)Br)/O2 |
Product Overview
C20H17BrO4 (CAS 622360-34-3), with molecular formula C20H17BrO4 and molecular weight 400.03 g/mol. IUPAC: [(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of C20H17BrO4
Property Insights of C20H17BrO4
The XLogP value of 5.0168 indicates that C20H17BrO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C20H17BrO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H17BrO4 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H17BrO4?
The CAS number of C20H17BrO4 is 622360-34-3.
What is the molecular formula of C20H17BrO4?
The molecular formula of C20H17BrO4 is C20H17BrO4.
What is the molecular weight of C20H17BrO4?
The molecular weight of C20H17BrO4 is 400.03 g/mol.
Where can I buy C20H17BrO4?
You can request a quote for C20H17BrO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17BrO4?
Yes, KEHONG BIO provides custom synthesis services for C20H17BrO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.