4-Aminothiophene-3-carboxylic acid hydrochloride
TL;DR: 4-Aminothiophene-3-carboxylic acid hydrochloride (CAS 1049777-16-3) is a chemical compound with molecular formula C5H6ClNO2S and molecular weight 178.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminothiophene-3-carboxylic acid;hydrochloride
Also Known As: 4-aminothiophene-3-carboxylic acid hydrochloride, 4-aminothiophene-3-carboxylic Acid, 4-aminothiophene-3-carboxylicacidhydrochloride, 4-aminothiophene-3-carboxylic acid;hydrochloride, 4-Amino-3-thiophenecarboxylic acid, hydrochloride
| Molecular Formula | C5H6ClNO2S |
|---|---|
| Molecular Weight | 178.98 g/mol |
| LogP | 1.4503 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.98077 |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 1049777-16-3 |
|---|---|
| SMILES | C1=C(C(=CS1)N)C(=O)O.Cl |
| InChIKey | DROPFFRXMVVWAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminothiophene-3-carboxylic acid hydrochloride (CAS 1049777-16-3), with molecular formula C5H6ClNO2S and molecular weight 178.98 g/mol. IUPAC: 4-aminothiophene-3-carboxylic acid;hydrochloride.
Chemical Property Profile of 4-Aminothiophene-3-carboxylic acid hydrochloride
Property Insights of 4-Aminothiophene-3-carboxylic acid hydrochloride
The XLogP value of 1.4503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminothiophene-3-carboxylic acid hydrochloride. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminothiophene-3-carboxylic acid hydrochloride. Following Lipinski's Rule of Five, 4-Aminothiophene-3-carboxylic acid hydrochloride has 3 hydrogen bond donor(s) and 4 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-Aminothiophene-3-carboxylic acid hydrochloride?
The CAS number of 4-Aminothiophene-3-carboxylic acid hydrochloride is 1049777-16-3.
What is the molecular formula of 4-Aminothiophene-3-carboxylic acid hydrochloride?
The molecular formula of 4-Aminothiophene-3-carboxylic acid hydrochloride is C5H6ClNO2S.
What is the molecular weight of 4-Aminothiophene-3-carboxylic acid hydrochloride?
The molecular weight of 4-Aminothiophene-3-carboxylic acid hydrochloride is 178.98 g/mol.
Where can I buy 4-Aminothiophene-3-carboxylic acid hydrochloride?
You can request a quote for 4-Aminothiophene-3-carboxylic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminothiophene-3-carboxylic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminothiophene-3-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.