3,4-Dibromothiophene-2-carboxylic acid
TL;DR: 3,4-Dibromothiophene-2-carboxylic acid (CAS 7311-66-2) is a chemical compound with molecular formula C5H2Br2O2S and molecular weight 283.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dibromothiophene-2-carboxylic acid
Also Known As: 3,4-Dibromothiophene-2-carboxylic acid, BAS 00744769, 3,4-Dibromothiophene-2-carboxylicacid, 3,4-Dibromo-2-thiophenecarboxylic acid, 3,4-dibromo-2-thiophene carboxylic acid
| Molecular Formula | C5H2Br2O2S |
|---|---|
| Molecular Weight | 283.81 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.81424 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 7311-66-2 |
|---|---|
| SMILES | C1=C(C(=C(S1)C(=O)O)Br)Br |
| InChIKey | VMFBMYZXQCTXAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dibromothiophene-2-carboxylic acid (CAS 7311-66-2), with molecular formula C5H2Br2O2S and molecular weight 283.81 g/mol. IUPAC: 3,4-dibromothiophene-2-carboxylic acid.
Chemical Property Profile of 3,4-Dibromothiophene-2-carboxylic acid
Property Insights of 3,4-Dibromothiophene-2-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dibromothiophene-2-carboxylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dibromothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dibromothiophene-2-carboxylic 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-Dibromothiophene-2-carboxylic acid?
The CAS number of 3,4-Dibromothiophene-2-carboxylic acid is 7311-66-2.
What is the molecular formula of 3,4-Dibromothiophene-2-carboxylic acid?
The molecular formula of 3,4-Dibromothiophene-2-carboxylic acid is C5H2Br2O2S.
What is the molecular weight of 3,4-Dibromothiophene-2-carboxylic acid?
The molecular weight of 3,4-Dibromothiophene-2-carboxylic acid is 283.81 g/mol.
Where can I buy 3,4-Dibromothiophene-2-carboxylic acid?
You can request a quote for 3,4-Dibromothiophene-2-carboxylic 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-Dibromothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dibromothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.