CAS RN: 179185-78-5
2-amino-2-(2,3-dihydro-1H-inden-1-yl)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.20260111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS179185-78-5
- Purity/Analytical Methods: >99.0%
179185-78-5 / 2-amino-2-(2,3-dihydro-1H-inden-1-yl)acetic acid
Basic Information
CAS
179185-78-5
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
C1CC2=CC=CC=C2C1C(C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-10(11(13)14)9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6,12H2,(H,13,14)
InChIKey
ASAYGFYEVSZTBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.12
TPSA
63.32
LogP / Solubility
WLOGP
1.13
MLOGP
0.99
XLogP3
-1.2
Consensus LogP
0.31
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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