1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-
TL;DR: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- (CAS 42779-79-3) is a chemical compound with molecular formula C15H14F3NO2 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-, 2,5-Dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole-3-acetic acid, {2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}acetic acid, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]acetic acid, BRN 0431032
| Molecular Formula | C15H14F3NO2 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.74004 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.09766 |
| Heavy Atoms | 21 |
| Complexity | 686.7126 |
Chemical Identifiers
| CAS Number | 42779-79-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)CC(=O)O |
Product Overview
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- (CAS 42779-79-3), with molecular formula C15H14F3NO2 and molecular weight 297.10 g/mol. IUPAC: 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-
Property Insights of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-
The XLogP value of 3.74004 indicates that 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- 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 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-?
The CAS number of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- is 42779-79-3.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- is C15H14F3NO2.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- is 297.10 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.