4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde
TL;DR: 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde (CAS 886500-73-8) is a chemical compound with molecular formula C12H12F3NO and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-yl-3-(trifluoromethyl)benzaldehyde
Also Known As: 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde, 4-(Pyrrolidin-1-yl)-3-(trifluoromethyl)benzaldehyde, 4-pyrrolidin-1-yl-3-(trifluoromethyl)benzaldehyde, 4-(1-Pyrrolidinyl)-3-(trifluoromethyl)benZaldehyde
| Molecular Formula | C12H12F3NO |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 3.1181 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.0871 |
| Heavy Atoms | 17 |
| Complexity | 422.24918 |
Chemical Identifiers
| CAS Number | 886500-73-8 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C=O)C(F)(F)F |
Product Overview
4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde (CAS 886500-73-8), with molecular formula C12H12F3NO and molecular weight 243.09 g/mol. IUPAC: 4-pyrrolidin-1-yl-3-(trifluoromethyl)benzaldehyde.
Chemical Property Profile of 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde
Property Insights of 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde
The XLogP value of 3.1181 indicates that 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde has 0 hydrogen bond donor(s) and 2 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 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde?
The CAS number of 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde is 886500-73-8.
What is the molecular formula of 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde?
The molecular formula of 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde is C12H12F3NO.
What is the molecular weight of 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde?
The molecular weight of 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde is 243.09 g/mol.
Where can I buy 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde?
You can request a quote for 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrrolidin-1-yl-3-trifluoromethyl-benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.