3,4,5-Tribromo-2-thenoic acid
TL;DR: 3,4,5-Tribromo-2-thenoic acid (CAS 53317-05-8) is a chemical compound with molecular formula C5HBr3O2S and molecular weight 361.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-tribromothiophene-2-carboxylic acid
Also Known As: 3,4,5-tribromo-2-thiophenecarboxylic acid, 3,4,5-Tribromo-2-thenoic acid, C5HBr3O2S, 3,4,5-tribromothiophene-2-carboxylic acid, D-Methionine,N-L-alanyl
| Molecular Formula | C5HBr3O2S |
|---|---|
| Molecular Weight | 361.72 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.7227 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 53317-05-8 |
|---|---|
| SMILES | C1(=C(SC(=C1Br)Br)C(=O)O)Br |
| InChIKey | QEZRPOCNDKTQJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Tribromo-2-thenoic acid (CAS 53317-05-8), with molecular formula C5HBr3O2S and molecular weight 361.72 g/mol. IUPAC: 3,4,5-tribromothiophene-2-carboxylic acid.
Chemical Property Profile of 3,4,5-Tribromo-2-thenoic acid
Property Insights of 3,4,5-Tribromo-2-thenoic acid
The XLogP value of 3.9 indicates that 3,4,5-Tribromo-2-thenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Tribromo-2-thenoic acid. Following Lipinski's Rule of Five, 3,4,5-Tribromo-2-thenoic 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 3,4,5-Tribromo-2-thenoic acid?
The CAS number of 3,4,5-Tribromo-2-thenoic acid is 53317-05-8.
What is the molecular formula of 3,4,5-Tribromo-2-thenoic acid?
The molecular formula of 3,4,5-Tribromo-2-thenoic acid is C5HBr3O2S.
What is the molecular weight of 3,4,5-Tribromo-2-thenoic acid?
The molecular weight of 3,4,5-Tribromo-2-thenoic acid is 361.72 g/mol.
Where can I buy 3,4,5-Tribromo-2-thenoic acid?
You can request a quote for 3,4,5-Tribromo-2-thenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Tribromo-2-thenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Tribromo-2-thenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.