1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
TL;DR: 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 876294-75-6) is a chemical compound with molecular formula C14H14FNO2 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
Also Known As: 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, A4121/0175719, 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid
| Molecular Formula | C14H14FNO2 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.99054 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.10086 |
| Heavy Atoms | 18 |
| Complexity | 584.5866 |
Chemical Identifiers
| CAS Number | 876294-75-6 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)O |
Product Overview
1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 876294-75-6), with molecular formula C14H14FNO2 and molecular weight 247.10 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid.
Chemical Property Profile of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Property Insights of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 2.99054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid has 1 hydrogen bond donor(s) and 1 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 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 876294-75-6.
What is the molecular formula of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is C14H14FNO2.
What is the molecular weight of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 247.10 g/mol.
Where can I buy 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.