2-Thiophenecarboxylic acid, 4-nitrophenyl ester
TL;DR: 2-Thiophenecarboxylic acid, 4-nitrophenyl ester (CAS 91059-63-1) is a chemical compound with molecular formula C11H7NO4S and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) thiophene-2-carboxylate
Also Known As: 4-nitrophenyl 2-thiophenecarboxylate, 4-nitrophenyl thiophene-2-carboxylate, (4-nitrophenyl) thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 4-nitrophenyl ester, J1.267.702B
| Molecular Formula | C11H7NO4S |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.00958 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 91059-63-1 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | QHJFYEJRQLKVEZ-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 4-nitrophenyl ester (CAS 91059-63-1), with molecular formula C11H7NO4S and molecular weight 249.01 g/mol. IUPAC: (4-nitrophenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 4-nitrophenyl ester
Property Insights of 2-Thiophenecarboxylic acid, 4-nitrophenyl ester
The XLogP value of 3.2 indicates that 2-Thiophenecarboxylic acid, 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 5 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-Thiophenecarboxylic acid, 4-nitrophenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 4-nitrophenyl ester is 91059-63-1.
What is the molecular formula of 2-Thiophenecarboxylic acid, 4-nitrophenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 4-nitrophenyl ester is C11H7NO4S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 4-nitrophenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 4-nitrophenyl ester is 249.01 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 4-nitrophenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.