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CAS 1781035-24-2 3,3-difluoropiperidine-4-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1781035-24-2

3,3-difluoropiperidine-4-carboxylic acid hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-078281
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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
  • 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 1781035-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

1781035-24-2 / 3-fluoropiperidine-4-carboxylic acid;hydrochloride

Standard CAS: 1781035-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1781035-24-2
Multi CAS
No
Molecular Formula
C6H11ClFNO2
Molecular Weight
183.610000
Exact Mass
183.046234
SMILES
C1CNCC(C1C(=O)O)F.Cl
InChI
InChI=1S/C6H10FNO2.ClH/c7-5-3-8-2-1-4(5)6(9)10;/h4-5,8H,1-3H2,(H,9,10);1H
InChIKey
KIFZGWODKGITJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.76
TPSA
49.33

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
0.44
Consensus LogP
0.42
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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