(2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid
TL;DR: (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid (CAS 103687-21-4) is a chemical compound with molecular formula C7H5BrO2S and molecular weight 231.91936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-bromothiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(4-bromo-2-thienyl)acrylic acid, 3- ACRYLICACID, 3-(4-bromothiophen-2-yl)acrylic acid, RARECHEM BK HC S241, trans-3-(4-Bromothiophen-2-yl)acrylic acid
Technical Specifications
| Molecular Formula | C7H5BrO2S |
| Molecular Weight | 231.91936 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.91936 Da |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| SMILES | C1=C(SC=C1Br)/C=C/C(=O)O |
| InChIKey | VHKFUECAKTYKCR-OWOJBTEDSA-N |
Chemical Property Profile of (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid
Property Insights of (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid. Following Lipinski's Rule of Five, (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid has 1 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 (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid?
The CAS number of (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid is 103687-21-4.
What is the molecular formula of (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid?
The molecular formula of (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid is C7H5BrO2S.
What is the molecular weight of (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid?
The molecular weight of (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid is 231.91936 g/mol.
Where can I buy (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid?
You can request a quote for (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(4-Bromo-2-thienyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.