4-Nitro-2-(thiophene-2-carbonyl)benzoic acid
TL;DR: 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid (CAS 7499-72-1) is a chemical compound with molecular formula C12H7NO5S and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(thiophene-2-carbonyl)benzoic acid
Also Known As: 4-nitro-2-(thiophene-2-carbonyl)benzoic acid, Benzoicacid, 4-nitro-2-(2-thienylcarbonyl)-, 4-nitro-2-(thiophene-2-carbonyl)-benzoic acid
| Molecular Formula | C12H7NO5S |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0045 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 7499-72-1 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | SHNVXCUVZRYCAM-UHFFFAOYSA-N |
Product Overview
4-Nitro-2-(thiophene-2-carbonyl)benzoic acid (CAS 7499-72-1), with molecular formula C12H7NO5S and molecular weight 277.00 g/mol. IUPAC: 4-nitro-2-(thiophene-2-carbonyl)benzoic acid.
Chemical Property Profile of 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid
Property Insights of 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid. Following Lipinski's Rule of Five, 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid has 1 hydrogen bond donor(s) and 6 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-Nitro-2-(thiophene-2-carbonyl)benzoic acid?
The CAS number of 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid is 7499-72-1.
What is the molecular formula of 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid?
The molecular formula of 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid is C12H7NO5S.
What is the molecular weight of 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid?
The molecular weight of 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid is 277.00 g/mol.
Where can I buy 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid?
You can request a quote for 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-(thiophene-2-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.