CAS RN: 930769-57-6
(S)-3-AMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID 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.20260420 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS930769-57-6
- Purity/Analytical Methods: >99.0%
930769-57-6 / (3S)-3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride
Basic Information
CAS
930769-57-6
Multi CAS
No
Molecular Formula
C9H11CLFNO2
Molecular Weight
219.640000
Exact Mass
219.046234
InChI
InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
InChIKey
WYDDUVABUITTBX-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.83
TPSA
63.32
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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