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CAS 616890-33-6 Cis-Tert-Butyl 2-Allyl-3-Hydroxypiperidine-1-Carboxylate molecular structure lightbox
CAS RN: 616890-33-6

Cis-Tert-Butyl 2-Allyl-3-Hydroxypiperidine-1-Carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-170627
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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 616890-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

616890-33-6 / tert-butyl (2S,3S)-3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate

Standard CAS: 616890-33-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
616890-33-6
Multi CAS
Yes
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
InChI
InChI=1S/C13H23NO3/c1-5-7-10-11(15)8-6-9-14(10)12(16)17-13(2,3)4/h5,10-11,15H,1,6-9H2,2-4H3/t10-,11-/m1/s1
InChIKey
LWRHBPUNAPRDCM-GHMZBOCLSA-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
66.78
TPSA
49.77

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
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
2.5

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