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CAS 26368-32-1 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid molecular structure lightbox
CAS RN: 26368-32-1

2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS26368-32-1
  • Purity/Analytical Methods: >99.0%
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26368-32-1 / 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

Standard CAS: 26368-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26368-32-1
Multi CAS
No
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
SMILES
C1CC(C2=CC=CC=C2C1)C(C(=O)O)N
InChI
InChI=1S/C12H15NO2/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7,13H2,(H,14,15)
InChIKey
QRDRVXBAMXIQMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.73
TPSA
63.32

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
-0.7
Consensus LogP
0.72
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.89

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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