2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde
TL;DR: 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde (CAS 314768-18-8) is a chemical compound with molecular formula C9H10F3NO and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde
Also Known As: AB00709469-01, 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde, 2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carbaldehyde
| Molecular Formula | C9H10F3NO |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.47974 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.07144 |
| Heavy Atoms | 14 |
| Complexity | 351.6744 |
Chemical Identifiers
| CAS Number | 314768-18-8 |
|---|---|
| SMILES | CC1=CC(=C(N1CC(F)(F)F)C)C=O |
Product Overview
2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde (CAS 314768-18-8), with molecular formula C9H10F3NO and molecular weight 205.07 g/mol. IUPAC: 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde.
Chemical Property Profile of 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde
Property Insights of 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde
The XLogP value of 2.47974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde has 0 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 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde?
The CAS number of 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde is 314768-18-8.
What is the molecular formula of 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde?
The molecular formula of 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde is C9H10F3NO.
What is the molecular weight of 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde?
The molecular weight of 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde is 205.07 g/mol.
Where can I buy 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde?
You can request a quote for 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.