![CAS 1391401-37-8 (1R)-1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391401-37-8.gif)
CAS RN: 1391401-37-8
(1R)-1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPYLAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391401-37-8
- Purity/Analytical Methods: >99.0%
1391401-37-8 / (1R)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
Basic Information
CAS
1391401-37-8
Multi CAS
No
Molecular Formula
C10H13ClF3NO
Molecular Weight
255.660000
Exact Mass
255.063776
SMILES
CC[C@H](C1=CC=C(C=C1)OC(F)(F)F)N.Cl
InChI
InChI=1S/C10H12F3NO.ClH/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13;/h3-6,9H,2,14H2,1H3;1H/t9-;/m1./s1
InChIKey
DWKXJMLQLSYEPD-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.59
TPSA
35.25
LogP / Solubility
WLOGP
3.42
MLOGP
3.01
XLogP3
3.42
Consensus LogP
3.28
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1391403-29-4 (2R)-2-AMINO-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-OL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391403-29-4.gif)
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