CAS RN: 332061-82-2
(S)-3-AMino-4-(4-trifluoroMethylphenyl)-butyric acid-HCl
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.20250925 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS332061-82-2
- Purity/Analytical Methods: >99.0%
332061-82-2 / (3S)-3-amino-4-[4-(trifluoromethyl)phenyl]butanoic acid;hydrochloride
Basic Information
CAS
332061-82-2
Multi CAS
Yes
Molecular Formula
C11H13CLF3NO2
Molecular Weight
283.670000
Exact Mass
283.058691
InChI
InChI=1S/C11H12F3NO2.ClH/c12-11(13,14)8-3-1-7(2-4-8)5-9(15)6-10(16)17;/h1-4,9H,5-6,15H2,(H,16,17);1H/t9-;/m0./s1
InChIKey
AAAGEGKCWDZYHR-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.62
TPSA
63.32
LogP / Solubility
WLOGP
2.47
MLOGP
2.19
XLogP3
2.47
Consensus LogP
2.38
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-2.7
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
-
(S)-3-Amino-4,4-diphenylbutyric acid hydrochloride
- CAS RN: 332062-01-8
- Product Code: SSC-139163
-
-
-
-
(E)-3-(furan-2-yl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide
- CAS RN: 332063-87-3
- Product Code: starshine_CAS332063-87-3
- Purity/Analytical method: >99.0%
-
BOC-(R)-2-TETRAHYDROISOQUINOLINE ACETIC ACID
- CAS RN: 332064-64-9
- Product Code: SSC-139167
