2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
TL;DR: 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid (CAS 42779-83-9) 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.
2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-fluorophenyl)-, 2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid, 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid, 1H-Pyrrole-3-acetic acid, 1-(4-fluorophenyl)-2,5-dimethyl-, 2,5-Dimethyl-1-(4-fluorophenyl)-1H-pyrrole-3-acetic acid
| Molecular Formula | C14H14FNO2 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.86034 |
| 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 | 42779-83-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)CC(=O)O |
Product Overview
2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid (CAS 42779-83-9), with molecular formula C14H14FNO2 and molecular weight 247.10 g/mol. IUPAC: 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.
Chemical Property Profile of 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
Property Insights of 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
The XLogP value of 2.86034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic 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 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
The CAS number of 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid is 42779-83-9.
What is the molecular formula of 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
The molecular formula of 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid is C14H14FNO2.
What is the molecular weight of 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
The molecular weight of 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid is 247.10 g/mol.
Where can I buy 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
You can request a quote for 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.