2-Nitrophenyl 2-thiophenecarboxylate
TL;DR: 2-Nitrophenyl 2-thiophenecarboxylate (CAS 91059-62-0) 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.
(2-nitrophenyl) thiophene-2-carboxylate
Also Known As: 2-nitrophenyl 2-thiophenecarboxylate, (2-nitrophenyl) thiophene-2-carboxylate, 2-NITROPHENYL THIOPHENE-2-CARBOXYLATE, J3.308.496J, Thiophene-2-carboxylic acid 2-nitrophenyl ester
| Molecular Formula | C11H7NO4S |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 2.8755 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.00958 |
| Heavy Atoms | 17 |
| Complexity | 550.3589 |
Chemical Identifiers
| CAS Number | 91059-62-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CC=CS2 |
Product Overview
2-Nitrophenyl 2-thiophenecarboxylate (CAS 91059-62-0), with molecular formula C11H7NO4S and molecular weight 249.01 g/mol. IUPAC: (2-nitrophenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Nitrophenyl 2-thiophenecarboxylate
Property Insights of 2-Nitrophenyl 2-thiophenecarboxylate
The XLogP value of 2.8755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenyl 2-thiophenecarboxylate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 2-Nitrophenyl 2-thiophenecarboxylate 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-Nitrophenyl 2-thiophenecarboxylate?
The CAS number of 2-Nitrophenyl 2-thiophenecarboxylate is 91059-62-0.
What is the molecular formula of 2-Nitrophenyl 2-thiophenecarboxylate?
The molecular formula of 2-Nitrophenyl 2-thiophenecarboxylate is C11H7NO4S.
What is the molecular weight of 2-Nitrophenyl 2-thiophenecarboxylate?
The molecular weight of 2-Nitrophenyl 2-thiophenecarboxylate is 249.01 g/mol.
Where can I buy 2-Nitrophenyl 2-thiophenecarboxylate?
You can request a quote for 2-Nitrophenyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.