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CAS 1400264-85-8 tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate molecular structure lightbox
CAS RN: 1400264-85-8

tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 100g In stock Shanghai Inquiry
Batchno.20260421 10g In stock Shanghai Inquiry
Batchno.20250404 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250505 25g In stock Shanghai Inquiry
Batchno.20250119 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-050502
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1400264-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1400264-85-8 / tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;hydrate

Standard CAS: 1400264-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1400264-85-8
Multi CAS
No
Molecular Formula
C10H17F2NO4
Molecular Weight
253.240000
Exact Mass
253.112564
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1)(F)F.O
InChI
InChI=1S/C10H15F2NO3.H2O/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;/h4-6H2,1-3H3;1H2
InChIKey
IEESRSKOIOREKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.99
TPSA
78.11

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.55

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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