4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid
TL;DR: 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid (CAS 887576-48-9) is a chemical compound with molecular formula C13H19BrO2S and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,5-ditert-butylthiophene-3-carboxylic acid
Also Known As: 4-bromo-2,5-ditert-butylthiophene-3-carboxylic acid, AI-942/25034870, 4-Bromo-2,5-di-tert-butylthiophene-3-carboxylic acid
| Molecular Formula | C13H19BrO2S |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 4.8038 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.0289 |
| Heavy Atoms | 17 |
| Complexity | 447.2101 |
Chemical Identifiers
| CAS Number | 887576-48-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=C(S1)C(C)(C)C)Br)C(=O)O |
Product Overview
4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid (CAS 887576-48-9), with molecular formula C13H19BrO2S and molecular weight 318.03 g/mol. IUPAC: 4-bromo-2,5-ditert-butylthiophene-3-carboxylic acid.
Chemical Property Profile of 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid
Property Insights of 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid
The XLogP value of 4.8038 indicates that 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic 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, 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic 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 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid?
The CAS number of 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid is 887576-48-9.
What is the molecular formula of 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid?
The molecular formula of 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid is C13H19BrO2S.
What is the molecular weight of 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid?
The molecular weight of 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid is 318.03 g/mol.
Where can I buy 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid?
You can request a quote for 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,5-ditert-butylthiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.