CAS RN: 281191-43-3
(2S,1”S)-2-CYCLOPROPYL-2-(1-PHENYLETHYLAMINO)ACETIC ACID
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.20250804 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS281191-43-3
- Purity/Analytical Methods: >99.0%
281191-43-3 / 2-cyclopropyl-2-(1-phenylethylamino)acetic acid
Basic Information
CAS
281191-43-3
Multi CAS
Yes
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
InChI
InChI=1S/C13H17NO2/c1-9(10-5-3-2-4-6-10)14-12(13(15)16)11-7-8-11/h2-6,9,11-12,14H,7-8H2,1H3,(H,15,16)
InChIKey
SZDGZZWHZMCCQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.14
TPSA
49.33
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
-0.2
Consensus LogP
1.31
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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