[email protected]
CAS 1391578-86-1 (1R)-1-[3-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE HCl molecular structure lightbox
CAS RN: 1391578-86-1

(1R)-1-[3-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE HCl

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1391578-86-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1391578-86-1 / (1R)-1-[3-(trifluoromethoxy)phenyl]ethanamine;hydrochloride

Standard CAS: 1391578-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391578-86-1
Multi CAS
No
Molecular Formula
C9H11ClF3NO
Molecular Weight
241.640000
Exact Mass
241.048126
SMILES
C[C@H](C1=CC(=CC=C1)OC(F)(F)F)N.Cl
InChI
InChI=1S/C9H10F3NO.ClH/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m1./s1
InChIKey
GILTYZBJXXHWGV-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.98
TPSA
35.25

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us