Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
TL;DR: Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester (CAS 139266-40-3) is a chemical compound with molecular formula C13H8Br2O4 and molecular weight 385.87894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2E)-2-[4-bromo-5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
Also Known As: Acetic acid, methyl ester, Methyl (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate, Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester, 2-Methoxycarbonylmethylene-4-bromo-5-(4-bromophenyl)furan-3(2H)-one, methyl (2E)-2-[4-bromo-5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
Technical Specifications
| Molecular Formula | C13H8Br2O4 |
| Molecular Weight | 385.87894 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.87894 Da |
| Heavy Atoms | 19 |
| Complexity | 459.0 |
| SMILES | COC(=O)/C=C/1\C(=O)C(=C(O1)C2=CC=C(C=C2)Br)Br |
| InChIKey | LCTJQDQRNLRXMB-RMKNXTFCSA-N |
Chemical Property Profile of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
Property Insights of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
The XLogP value of 3.4 indicates that Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester 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
What is the CAS number of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
The CAS number of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester is 139266-40-3.
What is the molecular formula of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
The molecular formula of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester is C13H8Br2O4.
What is the molecular weight of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
The molecular weight of Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester is 385.87894 g/mol.
Where can I buy Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
You can request a quote for Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.