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CAS 130532-64-8 8-AMINO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID HCL molecular structure lightbox
CAS RN: 130532-64-8

8-AMINO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID HCL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS130532-64-8
  • Purity/Analytical Methods: >99.0%
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130532-64-8 / 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

Standard CAS: 130532-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130532-64-8
Multi CAS
No
Molecular Formula
C11H14ClNO2
Molecular Weight
227.690000
Exact Mass
227.071306
SMILES
C1CC(C2=C(C1)C=CC(=C2)C(=O)O)N.Cl
InChI
InChI=1S/C11H13NO2.ClH/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10;/h4-6,10H,1-3,12H2,(H,13,14);1H
InChIKey
DKBYUNKLGBPKMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.52
TPSA
63.32

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.59

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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