2,4,5-Tribromo-3-thiophenecarboxylic acid
TL;DR: 2,4,5-Tribromo-3-thiophenecarboxylic acid (CAS 16694-22-7) 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.
2,4,5-tribromothiophene-3-carboxylic acid
Also Known As: 2,4,5-Tribromo-3-thiophenecarboxylic acid, 2,4,5-tribromothiophene-3-carboxylic acid, tribromothiophene-3-carboxylic acid, 3-Thiophenecarboxylic acid, 2,4,5-tribromo-, 2,4,5-Tribromo-3-thiophenecarboxylic acid #
| 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 | 361.72473 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 16694-22-7 |
|---|---|
| SMILES | C1(=C(SC(=C1Br)Br)Br)C(=O)O |
| InChIKey | YKTZXJNNXXBHKE-UHFFFAOYSA-N |
Product Overview
2,4,5-Tribromo-3-thiophenecarboxylic acid (CAS 16694-22-7), with molecular formula C5HBr3O2S and molecular weight 361.72 g/mol. IUPAC: 2,4,5-tribromothiophene-3-carboxylic acid.
Chemical Property Profile of 2,4,5-Tribromo-3-thiophenecarboxylic acid
Property Insights of 2,4,5-Tribromo-3-thiophenecarboxylic acid
The XLogP value of 3.9 indicates that 2,4,5-Tribromo-3-thiophenecarboxylic 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 2,4,5-Tribromo-3-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 2,4,5-Tribromo-3-thiophenecarboxylic 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 2,4,5-Tribromo-3-thiophenecarboxylic acid?
The CAS number of 2,4,5-Tribromo-3-thiophenecarboxylic acid is 16694-22-7.
What is the molecular formula of 2,4,5-Tribromo-3-thiophenecarboxylic acid?
The molecular formula of 2,4,5-Tribromo-3-thiophenecarboxylic acid is C5HBr3O2S.
What is the molecular weight of 2,4,5-Tribromo-3-thiophenecarboxylic acid?
The molecular weight of 2,4,5-Tribromo-3-thiophenecarboxylic acid is 361.72 g/mol.
Where can I buy 2,4,5-Tribromo-3-thiophenecarboxylic acid?
You can request a quote for 2,4,5-Tribromo-3-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Tribromo-3-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Tribromo-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.