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CAS 495415-34-4 N-Boc-4-cyanopiperidine-4-carboxylic acid/1-(tert-butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid molecular structure lightbox
CAS RN: 495415-34-4

N-Boc-4-cyanopiperidine-4-carboxylic acid/1-(tert-butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 100mg / 250mg / 1g / 5g / 10g Out of stock 15 business days Inquiry
  • Product code: SSC-155754
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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: ＞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 495415-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

495415-34-4 / 4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Standard CAS: 495415-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
495415-34-4
Multi CAS
Yes
Molecular Formula
C12H18N2O4
Molecular Weight
254.280000
Exact Mass
254.126657
InChI
InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKey
URBDNSCLBSLLFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.72
TPSA
90.63

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
0.9
Consensus LogP
1.31
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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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