5-Methyl-4-nitrothiophene-2-carboxylic acid
TL;DR: 5-Methyl-4-nitrothiophene-2-carboxylic acid (CAS 114344-60-4) is a chemical compound with molecular formula C6H5NO4S and molecular weight 186.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitrothiophene-2-carboxylic acid
Also Known As: 5-methyl-4-nitrothiophene-2-carboxylic acid, 2-METHYL-3-NITROTHIOPHENE-5-CARBOXYLIC ACID, Z-LYS(BOC)-NH2, BAS 00529252, 5-Methyl-4-nitro-thiophene-2-carboxylic acid
| Molecular Formula | C6H5NO4S |
|---|---|
| Molecular Weight | 186.99 g/mol |
| LogP | 1.66292 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.99393 |
| Heavy Atoms | 12 |
| Complexity | 343.31732 |
Chemical Identifiers
| CAS Number | 114344-60-4 |
|---|---|
| SMILES | CC1=C(C=C(S1)C(=O)O)[N+](=O)[O-] |
Product Overview
5-Methyl-4-nitrothiophene-2-carboxylic acid (CAS 114344-60-4), with molecular formula C6H5NO4S and molecular weight 186.99 g/mol. IUPAC: 5-methyl-4-nitrothiophene-2-carboxylic acid.
Chemical Property Profile of 5-Methyl-4-nitrothiophene-2-carboxylic acid
Property Insights of 5-Methyl-4-nitrothiophene-2-carboxylic acid
The XLogP value of 1.66292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-nitrothiophene-2-carboxylic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-nitrothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-4-nitrothiophene-2-carboxylic acid has 1 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 5-Methyl-4-nitrothiophene-2-carboxylic acid?
The CAS number of 5-Methyl-4-nitrothiophene-2-carboxylic acid is 114344-60-4.
What is the molecular formula of 5-Methyl-4-nitrothiophene-2-carboxylic acid?
The molecular formula of 5-Methyl-4-nitrothiophene-2-carboxylic acid is C6H5NO4S.
What is the molecular weight of 5-Methyl-4-nitrothiophene-2-carboxylic acid?
The molecular weight of 5-Methyl-4-nitrothiophene-2-carboxylic acid is 186.99 g/mol.
Where can I buy 5-Methyl-4-nitrothiophene-2-carboxylic acid?
You can request a quote for 5-Methyl-4-nitrothiophene-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 5-Methyl-4-nitrothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-nitrothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.