3-(4-Bromothiophen-2-yl)acrylic acid
TL;DR: 3-(4-Bromothiophen-2-yl)acrylic acid (CAS 103686-16-4) is a chemical compound with molecular formula C7H5BrO2S and molecular weight 231.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromothiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(4-bromothiophen-2-yl)acrylic acid, 3-(4-bromo-2-thienyl)acrylic acid, 3-(4-bromothiophen-2-yl)prop-2-enoic Acid, 2-Propenoic acid,3-(4-bromo-2-thienyl)-, 3-(4-Bromo-thiophen-2-yl)-acrylic acid
| Molecular Formula | C7H5BrO2S |
|---|---|
| Molecular Weight | 231.92 g/mol |
| LogP | 2.6084 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.91936 |
| Heavy Atoms | 11 |
| Complexity | 290.38562 |
Chemical Identifiers
| CAS Number | 103686-16-4 |
|---|---|
| SMILES | C1=C(SC=C1Br)C=CC(=O)O |
Product Overview
3-(4-Bromothiophen-2-yl)acrylic acid (CAS 103686-16-4), with molecular formula C7H5BrO2S and molecular weight 231.92 g/mol. IUPAC: 3-(4-bromothiophen-2-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Bromothiophen-2-yl)acrylic acid
Property Insights of 3-(4-Bromothiophen-2-yl)acrylic acid
The XLogP value of 2.6084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromothiophen-2-yl)acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Bromothiophen-2-yl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromothiophen-2-yl)acrylic acid has 1 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 3-(4-Bromothiophen-2-yl)acrylic acid?
The CAS number of 3-(4-Bromothiophen-2-yl)acrylic acid is 103686-16-4.
What is the molecular formula of 3-(4-Bromothiophen-2-yl)acrylic acid?
The molecular formula of 3-(4-Bromothiophen-2-yl)acrylic acid is C7H5BrO2S.
What is the molecular weight of 3-(4-Bromothiophen-2-yl)acrylic acid?
The molecular weight of 3-(4-Bromothiophen-2-yl)acrylic acid is 231.92 g/mol.
Where can I buy 3-(4-Bromothiophen-2-yl)acrylic acid?
You can request a quote for 3-(4-Bromothiophen-2-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromothiophen-2-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromothiophen-2-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.