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CAS 1331825-48-9 1-Boc-3-allyl-3-hydroxypiperidine molecular structure lightbox
CAS RN: 1331825-48-9

1-Boc-3-allyl-3-hydroxypiperidine

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250113 1g Out of stock 8-10 business days Inquiry
Batchno.20250622 250mg In stock Shanghai Inquiry
  • Product code: SSC-039854
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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 1331825-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1331825-48-9 / tert-butyl 3-hydroxy-3-prop-2-enylpiperidine-1-carboxylate

Standard CAS: 1331825-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1331825-48-9
Multi CAS
No
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CC=C)O
InChI
InChI=1S/C13H23NO3/c1-5-7-13(16)8-6-9-14(10-13)11(15)17-12(2,3)4/h5,16H,1,6-10H2,2-4H3
InChIKey
CBHSLDWWMOVQSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.8
TPSA
49.77

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
1.9
Consensus LogP
2.09
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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