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CAS 152491-54-8 tert-butyl (2R,4r,6S)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 152491-54-8

tert-butyl (2R,4r,6S)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-062301
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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: ≥95%
  • 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 152491-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

152491-54-8 / tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate

Standard CAS: 152491-54-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
152491-54-8
Multi CAS
No
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
SMILES
C[C@@H]1CC(C[C@@H](N1C(=O)OC(C)(C)C)C)O
InChI
InChI=1S/C12H23NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3/t8-,9+,10?
InChIKey
RNQIRWQBYRTJPG-ULKQDVFKSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.24
TPSA
49.77

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.59

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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