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CAS 412357-26-7 1-(tert-butoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid molecular structure lightbox
CAS RN: 412357-26-7

1-(tert-butoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid

  • Product code: SSC-149684
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • 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 412357-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

412357-26-7 / 4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Standard CAS: 412357-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412357-26-7
Multi CAS
No
Molecular Formula
C13H23NO5
Molecular Weight
273.330000
Exact Mass
273.157623
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(6-8-14,9-18-4)10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKey
UNLQJPNYVYPPSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.99
TPSA
76.07

LogP / Solubility

WLOGP
1.73
MLOGP
1.54
XLogP3
0.8
Consensus LogP
1.36
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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