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CAS 1334415-93-8 tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1334415-93-8

tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate

  • Product code: SSC-040190
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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: 0.05g, 0.1g, 0.25g, 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 1334415-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1334415-93-8 / tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate

Standard CAS: 1334415-93-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1334415-93-8
Multi CAS
No
Molecular Formula
C12H21F2NO3
Molecular Weight
265.300000
Exact Mass
265.148950
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)CCO
InChI
InChI=1S/C12H21F2NO3/c1-11(2,3)18-10(17)15-6-4-9(5-7-16)12(13,14)8-15/h9,16H,4-8H2,1-3H3
InChIKey
PFTPEHUAFYFBHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.56
TPSA
49.77

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
1.8
Consensus LogP
2.02
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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