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CAS 2055043-62-2 tert-butyl (S)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate molecular structure lightbox
CAS RN: 2055043-62-2

tert-butyl (S)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-096668
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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: ≥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 2055043-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2055043-62-2 / tert-butyl (4S)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate

Standard CAS: 2055043-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055043-62-2
Multi CAS
No
Molecular Formula
C11H20F2N2O2
Molecular Weight
250.290000
Exact Mass
250.149284
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C(C1)(F)F)CN
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-5-4-8(6-14)11(12,13)7-15/h8H,4-7,14H2,1-3H3/t8-/m0/s1
InChIKey
WYFLAUNQWVXXHB-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.92
TPSA
55.56

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.2
Consensus LogP
1.55
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.94

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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