1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate
TL;DR: 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate (CAS 107167-30-6) is a chemical compound with molecular formula C16H21F3N2O2 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,1-trifluoro-4-piperidin-1-ylbutan-2-yl) 4-aminobenzoate
Also Known As: NCIOpen2_007679, KST-1A9782, 1,1,1-trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate, (1,1,1-trifluoro-4-piperidin-1-ylbutan-2-yl) 4-aminobenzoate
| Molecular Formula | C16H21F3N2O2 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.15552 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 107167-30-6 |
|---|---|
| SMILES | C1CCN(CC1)CCC(C(F)(F)F)OC(=O)C2=CC=C(C=C2)N |
| InChIKey | FHAVNJLDAXWUSZ-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate (CAS 107167-30-6), with molecular formula C16H21F3N2O2 and molecular weight 330.16 g/mol. IUPAC: (1,1,1-trifluoro-4-piperidin-1-ylbutan-2-yl) 4-aminobenzoate.
Chemical Property Profile of 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate
Property Insights of 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate
The XLogP value of 3.5 indicates that 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate has 1 hydrogen bond donor(s) and 7 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 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate?
The CAS number of 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate is 107167-30-6.
What is the molecular formula of 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate?
The molecular formula of 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate is C16H21F3N2O2.
What is the molecular weight of 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate?
The molecular weight of 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate is 330.16 g/mol.
Where can I buy 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate?
You can request a quote for 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-(piperidin-1-yl)butan-2-yl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.