![CAS 1391484-89-1 (1S)-1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391484-89-1.gif)
CAS RN: 1391484-89-1
(1S)-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.20251018 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391484-89-1
- Purity/Analytical Methods: >99.0%
1391484-89-1 / (1S)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
Basic Information
CAS
1391484-89-1
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-;/m0./s1
InChIKey
DWKXJMLQLSYEPD-FVGYRXGTSA-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
Customers Also Viewed
-
(2R)-2-(2-BROMOPHENYL)PYRROLIDINE HYDROCHLORIDE
- CAS RN: 1391485-18-9
- Product Code: starshine_CAS1391485-18-9
- Purity/Analytical method: >99.0%
-
(2R)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 1391487-05-0
- Product Code: starshine_CAS1391487-05-0
- Purity/Analytical method: >99.0%
-
(2S)-2-AMINO-2-(2,5-DICHLOROPHENYL)ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 1391487-11-8
- Product Code: starshine_CAS1391487-11-8
- Purity/Analytical method: >99.0%
-
(1S)-1-(2-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE HCl
- CAS RN: 1391489-27-2
- Product Code: SSC-049497
-
[4-((2R)PYRROLIDIN-2-YL)PHENOXY]TRIFLUOROMETHANE HYDROCHLORIDE
- CAS RN: 1391490-20-2
- Product Code: starshine_CAS1391490-20-2
- Purity/Analytical method: >99.0%
-
(2S)-2-AMINO-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 1391492-95-7
- Product Code: starshine_CAS1391492-95-7
- Purity/Analytical method: >99.0%
![CAS 1391490-20-2 [4-((2R)PYRROLIDIN-2-YL)PHENOXY]TRIFLUOROMETHANE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391490-20-2.gif)
![CAS 1391492-95-7 (2S)-2-AMINO-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-OL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391492-95-7.gif)