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CAS 2305078-78-6 (2R,4S)-4-Amino-2-methyl-piperidine-1-carboxylic acid tert-butyl ester hydrochloride molecular structure lightbox
CAS RN: 2305078-78-6

(2R,4S)-4-Amino-2-methyl-piperidine-1-carboxylic acid tert-butyl ester hydrochloride

  • Product code: SSC-111986
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2305078-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

2305078-78-6 / tert-butyl 4-amino-2-methylpiperidine-1-carboxylate;hydrochloride

Standard CAS: 2305078-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2305078-78-6
Multi CAS
No
Molecular Formula
C11H23ClN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
SMILES
CC1CC(CCN1C(=O)OC(C)(C)C)N.Cl
InChI
InChI=1S/C11H22N2O2.ClH/c1-8-7-9(12)5-6-13(8)10(14)15-11(2,3)4;/h8-9H,5-7,12H2,1-4H3;1H
InChIKey
ZBWBFOOJHFNICW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.86
TPSA
55.56

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.15
Consensus LogP
2.07
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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