PHENYL]OXAN-4-YL}ETHYL)AMINE structure](/static/products/893/893687-03-1.png)
[(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE
TL;DR: [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE (CAS 893687-03-1) is a chemical compound with molecular formula C24H28F3NO3 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl]ethanamine
Also Known As: [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE|N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl]ethanamine|N-(1,3-benzodioxol-5-ylmethyl)-2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine|N-(benzo[1,3]dioxol-5-ylmethyl)-2-[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl]ethanamine|N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2,2-dimethyl-4-(3-(trifluoromethyl)phenyl)tetrahydro-2H-pyran-4-yl)ethanamine
| Molecular Formula | C24H28F3NO3 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 5.4408 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.20212 |
| Heavy Atoms | 31 |
| Complexity | 928.5258 |
Chemical Identifiers
| CAS Number | 893687-03-1 |
|---|---|
| SMILES | CC1(CC(CCO1)(CCNCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)C(F)(F)F)C |
Product Overview
[(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE (CAS 893687-03-1), with molecular formula C24H28F3NO3 and molecular weight 435.20 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl]ethanamine.
Chemical Property Profile of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE
Property Insights of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE
The XLogP value of 5.4408 indicates that [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE?
The CAS number of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE is 893687-03-1.
What is the molecular formula of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE?
The molecular formula of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE is C24H28F3NO3.
What is the molecular weight of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE?
The molecular weight of [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE is 435.20 g/mol.
Where can I buy [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE?
You can request a quote for [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE?
Yes, KEHONG BIO provides custom synthesis services for [(2H-1,3-BENZODIOXOL-5-YL)METHYL](2-{2,2-DIMETHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]OXAN-4-YL}ETHYL)AMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.