RefChem:340858
TL;DR: RefChem:340858 (CAS 101221-55-0) is a chemical compound with molecular formula C25H24F3NO2 and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-phenylbenzoate
Also Known As: 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-phenylbenzoate, 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol biphenylylcarboxylate, Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, 1-biphenylylcarboxylate, N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine biphenylylcarboxylate, Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, biphenylylcarboxylate
| Molecular Formula | C25H24F3NO2 |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.1759 |
| Heavy Atoms | 31 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 101221-55-0 |
|---|---|
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
| InChIKey | OKSJMZHFRHDVOD-UHFFFAOYSA-N |
Product Overview
RefChem:340858 (CAS 101221-55-0), with molecular formula C25H24F3NO2 and molecular weight 427.18 g/mol. IUPAC: 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-phenylbenzoate.
Chemical Property Profile of RefChem:340858
Property Insights of RefChem:340858
The XLogP value of 6.2 indicates that RefChem:340858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:340858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:340858 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:340858?
The CAS number of RefChem:340858 is 101221-55-0.
What is the molecular formula of RefChem:340858?
The molecular formula of RefChem:340858 is C25H24F3NO2.
What is the molecular weight of RefChem:340858?
The molecular weight of RefChem:340858 is 427.18 g/mol.
Where can I buy RefChem:340858?
You can request a quote for RefChem:340858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340858?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.