RefChem:1097047
TL;DR: RefChem:1097047 (CAS 2250-12-6) is a chemical compound with molecular formula C23H26F3NO5 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine
Also Known As: N,N-Dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)propylamine fumarate, Propylamine, N,N-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)-, fumarate, (E)-but-2-enedioic acid; N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine, RefChem:1097047
| Molecular Formula | C23H26F3NO5 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 4.4733 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.1763 |
| Heavy Atoms | 32 |
| Complexity | 864.7549 |
Chemical Identifiers
| CAS Number | 2250-12-6 |
|---|---|
| SMILES | CC(CN(C)C)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(F)(F)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097047 (CAS 2250-12-6), with molecular formula C23H26F3NO5 and molecular weight 453.18 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine.
Chemical Property Profile of RefChem:1097047
Property Insights of RefChem:1097047
The XLogP value of 4.4733 indicates that RefChem:1097047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097047. Following Lipinski's Rule of Five, RefChem:1097047 has 2 hydrogen bond donor(s) and 4 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 RefChem:1097047?
The CAS number of RefChem:1097047 is 2250-12-6.
What is the molecular formula of RefChem:1097047?
The molecular formula of RefChem:1097047 is C23H26F3NO5.
What is the molecular weight of RefChem:1097047?
The molecular weight of RefChem:1097047 is 453.18 g/mol.
Where can I buy RefChem:1097047?
You can request a quote for RefChem:1097047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097047?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.