1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-
TL;DR: 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- (CAS 180905-86-6) is a chemical compound with molecular formula C11H8FNO4S and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)sulfonylpyrrole-2-carboxylic acid
Also Known As: Pyrrolyl Phenyl Sulfone deriv., 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-, 1-(2-fluorobenzenesulfonyl)-1H-pyrrole-2-carboxylic acid, 1-(2-fluorophenyl)sulfonylpyrrole-2-carboxylic acid, 1-((2-Fluorophenyl)sulfonyl)-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C11H8FNO4S |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0158 |
| Heavy Atoms | 18 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 180905-86-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)F)S(=O)(=O)N2C=CC=C2C(=O)O |
| InChIKey | WDTCGKUXRJFGOG-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- (CAS 180905-86-6), with molecular formula C11H8FNO4S and molecular weight 269.02 g/mol. IUPAC: 1-(2-fluorophenyl)sulfonylpyrrole-2-carboxylic acid.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-
Property Insights of 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- has 1 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 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- is 180905-86-6.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- is C11H8FNO4S.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- is 269.02 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.