3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid
TL;DR: 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid (CAS 16361-25-4) is a chemical compound with molecular formula C11H7BrO2S and molecular weight 281.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-1-benzothiophen-3-yl)prop-2-enoic acid
Also Known As: 3-(5-bromo-1-benzothien-3-yl)acrylic acid, 3-(5-Bromobenzo[b]thien-3-yl)-2-propenoic acid, 3-(5-bromo-1-benzothiophen-3-yl)prop-2-enoic acid, AA-516/12432097
| Molecular Formula | C11H7BrO2S |
|---|---|
| Molecular Weight | 281.94 g/mol |
| LogP | 3.7616 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.935 |
| Heavy Atoms | 15 |
| Complexity | 542.51154 |
Chemical Identifiers
| CAS Number | 16361-25-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=CS2)C=CC(=O)O |
Product Overview
3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid (CAS 16361-25-4), with molecular formula C11H7BrO2S and molecular weight 281.94 g/mol. IUPAC: 3-(5-bromo-1-benzothiophen-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid
Property Insights of 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid
The XLogP value of 3.7616 indicates that 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic 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-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid?
The CAS number of 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid is 16361-25-4.
What is the molecular formula of 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid?
The molecular formula of 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid is C11H7BrO2S.
What is the molecular weight of 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid?
The molecular weight of 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid is 281.94 g/mol.
Where can I buy 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid?
You can request a quote for 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-1-benzothiophen-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.