(2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid
TL;DR: (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid (CAS 305865-65-0) is a chemical compound with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,4E)-4-[(4-bromophenyl)methylidene]-3-methylpent-2-enedioic acid
Also Known As: AB00087771-01, AB00087771-03, (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid, 4-(4-bromobenzylidene)-3-methyl-2-pentenedioic acid, 4-[(4-bromophenyl)methylidene]-3-methyl-pent-2-enedioic Acid
| Molecular Formula | C13H11BrO4 |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 2.948 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.98407 |
| Heavy Atoms | 18 |
| Complexity | 526.4272 |
Chemical Identifiers
| CAS Number | 305865-65-0 |
|---|---|
| SMILES | C/C(=C\C(=O)O)/C(=C\C1=CC=C(C=C1)Br)/C(=O)O |
Product Overview
(2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid (CAS 305865-65-0), with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol. IUPAC: (E,4E)-4-[(4-bromophenyl)methylidene]-3-methylpent-2-enedioic acid.
Chemical Property Profile of (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid
Property Insights of (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid
The XLogP value of 2.948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid. Following Lipinski's Rule of Five, (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid has 2 hydrogen bond donor(s) and 2 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 (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid?
The CAS number of (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid is 305865-65-0.
What is the molecular formula of (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid?
The molecular formula of (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid is C13H11BrO4.
What is the molecular weight of (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid?
The molecular weight of (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid is 309.98 g/mol.
Where can I buy (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid?
You can request a quote for (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.