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CAS 959236-11-4 1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) ester molecular structure lightbox
CAS RN: 959236-11-4

1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) ester

  • Product code: SSC-211607
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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: 5g
  • 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 959236-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

959236-11-4 / 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid

Standard CAS: 959236-11-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
959236-11-4
Multi CAS
Yes
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
InChI
InChI=1S/C14H23NO4/c1-5-7-14(11(16)17)8-6-9-15(10-14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKey
JSILKJJKWZCJME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.92
TPSA
66.84

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.1
Consensus LogP
2.37
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.47

Drug-likeness / Medicinal Chemistry

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

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