CAS RN: 331763-65-6
(R)-3-AMINO-4-(3-FLUOROPHENYL)BUTANOIC 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.20260411 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS331763-65-6
- Purity/Analytical Methods: >99.0%
331763-65-6 / (3S)-3-amino-4-(3-fluorophenyl)butanoic acid;hydrochloride
Basic Information
CAS
331763-65-6
Multi CAS
Yes
Molecular Formula
C10H13CLFNO2
Molecular Weight
233.670000
Exact Mass
233.061885
InChI
InChI=1S/C10H12FNO2.ClH/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1
InChIKey
HLJRPTAKNOUJAW-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.58
TPSA
63.32
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-3.02
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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