CAS RN: 269398-90-5
(R)-3-AMINO-4-(2-NAPHTHYL)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.20251215 | 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS269398-90-5
- Purity/Analytical Methods: >99.0%
269398-90-5 / (3R)-3-amino-4-naphthalen-2-ylbutanoic acid
Basic Information
CAS
269398-90-5
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@H](CC(=O)O)N
InChI
InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m1/s1
InChIKey
WSVMIVFELRCSPA-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.88
TPSA
63.32
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
0.2
Consensus LogP
1.44
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
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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