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CAS 1428582-20-0 Benzyl -1-Amino-6-azaspiro[2.5]octane-6-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1428582-20-0

Benzyl -1-Amino-6-azaspiro[2.5]octane-6-carboxylic acid hydrochloride

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg Out of stock Inquiry
Batchno.20260120 1g Out of stock Inquiry
Batchno.20250822 250mg Out of stock Inquiry
Batchno.20250723 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1428582-20-0
  • Purity/Analytical Methods: >99.0%
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1428582-20-0 / 2-amino-2-benzyl-6-azaspiro[2.5]octane-6-carboxylic acid;hydrochloride

Standard CAS: 1428582-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1428582-20-0
Multi CAS
No
Molecular Formula
C15H21ClN2O2
Molecular Weight
296.790000
Exact Mass
296.129156
SMILES
C1CN(CCC12CC2(CC3=CC=CC=C3)N)C(=O)O.Cl
InChI
InChI=1S/C15H20N2O2.ClH/c16-15(10-12-4-2-1-3-5-12)11-14(15)6-8-17(9-7-14)13(18)19;/h1-5H,6-11,16H2,(H,18,19);1H
InChIKey
AKRRMHNXQHRLPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.19
TPSA
66.56

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.51
Consensus LogP
2.41
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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