(Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620547-48-0) is a chemical compound with molecular formula C18H13BrO5 and molecular weight 387.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, VU0616719-1, methyl 2-{[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, F3385-0659, methyl 2-[[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
| Molecular Formula | C18H13BrO5 |
|---|---|
| Molecular Weight | 387.99 g/mol |
| LogP | 3.6171 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.99463 |
| Heavy Atoms | 24 |
| Complexity | 841.0528 |
Chemical Identifiers
| CAS Number | 620547-48-0 |
|---|---|
| SMILES | COC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3Br)/O2 |
Product Overview
(Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620547-48-0), with molecular formula C18H13BrO5 and molecular weight 387.99 g/mol. IUPAC: methyl 2-[[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 3.6171 indicates that (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate 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 (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate 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 (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 620547-48-0.
What is the molecular formula of (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C18H13BrO5.
What is the molecular weight of (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 387.99 g/mol.
Where can I buy (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.