![Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate structure](/static/products/971/97180-99-9.png)
Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
TL;DR: Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate (CAS 97180-99-9) is a chemical compound with molecular formula C13H9BrO4 and molecular weight 307.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
Also Known As: methyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
| Molecular Formula | C13H9BrO4 |
|---|---|
| Molecular Weight | 307.97 g/mol |
| LogP | 2.4462 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.9684 |
| Heavy Atoms | 18 |
| Complexity | 554.8589 |
Chemical Identifiers
| CAS Number | 97180-99-9 |
|---|---|
| SMILES | COC(=O)C=C1C(=O)C=C(O1)C2=CC=C(C=C2)Br |
Product Overview
Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate (CAS 97180-99-9), with molecular formula C13H9BrO4 and molecular weight 307.97 g/mol. IUPAC: methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate.
Chemical Property Profile of Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
Property Insights of Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
The XLogP value of 2.4462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate has 0 hydrogen bond donor(s) and 4 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 Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate?
The CAS number of Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate is 97180-99-9.
What is the molecular formula of Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate?
The molecular formula of Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate is C13H9BrO4.
What is the molecular weight of Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate?
The molecular weight of Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate is 307.97 g/mol.
Where can I buy Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate?
You can request a quote for Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.