(E)-2-benzamido-3-(4-bromophenyl)acrylic acid
TL;DR: (E)-2-benzamido-3-(4-bromophenyl)acrylic acid (CAS 117613-33-9) is a chemical compound with molecular formula C16H12BrNO3 and molecular weight 345.00006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoic acid
Also Known As: BAS 00690398, (E)-2-benzamido-3-(4-bromophenyl)acrylic acid, 2-Benzoylamino-3-(4-bromo-phenyl)-acrylic acid, (E)-2-benzamido-3-(4-bromophenyl)prop-2-enoic acid, (2E)-3-(4-bromophenyl)-2-(phenylcarbonylamino)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C16H12BrNO3 |
| Molecular Weight | 345.00006 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.00006 Da |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
| SMILES | C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)O |
| InChIKey | VHUMMOUDXPTOBW-GXDHUFHOSA-N |
Chemical Property Profile of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid
Property Insights of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-benzamido-3-(4-bromophenyl)acrylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-benzamido-3-(4-bromophenyl)acrylic acid. Following Lipinski's Rule of Five, (E)-2-benzamido-3-(4-bromophenyl)acrylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid?
The CAS number of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid is 117613-33-9.
What is the molecular formula of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid?
The molecular formula of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid is C16H12BrNO3.
What is the molecular weight of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid?
The molecular weight of (E)-2-benzamido-3-(4-bromophenyl)acrylic acid is 345.00006 g/mol.
Where can I buy (E)-2-benzamido-3-(4-bromophenyl)acrylic acid?
You can request a quote for (E)-2-benzamido-3-(4-bromophenyl)acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-benzamido-3-(4-bromophenyl)acrylic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-benzamido-3-(4-bromophenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.