2-((4-Bromo-3-thienyl)thio)propanoic acid
TL;DR: 2-((4-Bromo-3-thienyl)thio)propanoic acid (CAS 86004-64-0) is a chemical compound with molecular formula C7H7BrO2S2 and molecular weight 265.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromothiophen-3-yl)sulfanylpropanoic acid
Also Known As: Butyraldehydeoxime, 2-((4-BROMO-3-THIENYL)THIO)PROPANOIC ACID, 2-(4-bromothiophen-3-yl)sulfanylpropanoic acid, 2-((4-Bromothiophen-3-yl)thio)propanoic acid, AI-942/25034395
| Molecular Formula | C7H7BrO2S2 |
|---|---|
| Molecular Weight | 265.91 g/mol |
| LogP | 3.0758 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.90707 |
| Heavy Atoms | 12 |
| Complexity | 284.68866 |
Chemical Identifiers
| CAS Number | 86004-64-0 |
|---|---|
| SMILES | CC(C(=O)O)SC1=CSC=C1Br |
Product Overview
2-((4-Bromo-3-thienyl)thio)propanoic acid (CAS 86004-64-0), with molecular formula C7H7BrO2S2 and molecular weight 265.91 g/mol. IUPAC: 2-(4-bromothiophen-3-yl)sulfanylpropanoic acid.
Chemical Property Profile of 2-((4-Bromo-3-thienyl)thio)propanoic acid
Property Insights of 2-((4-Bromo-3-thienyl)thio)propanoic acid
The XLogP value of 3.0758 indicates that 2-((4-Bromo-3-thienyl)thio)propanoic 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, 2-((4-Bromo-3-thienyl)thio)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Bromo-3-thienyl)thio)propanoic 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
Frequently Asked Questions
What is the CAS number of 2-((4-Bromo-3-thienyl)thio)propanoic acid?
The CAS number of 2-((4-Bromo-3-thienyl)thio)propanoic acid is 86004-64-0.
What is the molecular formula of 2-((4-Bromo-3-thienyl)thio)propanoic acid?
The molecular formula of 2-((4-Bromo-3-thienyl)thio)propanoic acid is C7H7BrO2S2.
What is the molecular weight of 2-((4-Bromo-3-thienyl)thio)propanoic acid?
The molecular weight of 2-((4-Bromo-3-thienyl)thio)propanoic acid is 265.91 g/mol.
Where can I buy 2-((4-Bromo-3-thienyl)thio)propanoic acid?
You can request a quote for 2-((4-Bromo-3-thienyl)thio)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Bromo-3-thienyl)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromo-3-thienyl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.