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CAS 1638744-23-6 (R)-tert-Butyl ((5,5-difluoropiperidin-2-yl)methyl)carbamate molecular structure lightbox
CAS RN: 1638744-23-6

(R)-tert-Butyl ((5,5-difluoropiperidin-2-yl)methyl)carbamate

  • Product code: SSC-071268
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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: 0.25g
  • 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 1638744-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1638744-23-6 / tert-butyl N-[[(2R)-5,5-difluoropiperidin-2-yl]methyl]carbamate

Standard CAS: 1638744-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638744-23-6
Multi CAS
No
Molecular Formula
C11H20F2N2O2
Molecular Weight
250.290000
Exact Mass
250.149284
SMILES
CC(C)(C)OC(=O)NC[C@H]1CCC(CN1)(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)14-6-8-4-5-11(12,13)7-15-8/h8,15H,4-7H2,1-3H3,(H,14,16)/t8-/m1/s1
InChIKey
KYNZGIOKUKGMCY-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.21
TPSA
50.36

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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