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CAS 337919-65-0 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 337919-65-0

1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINECARBOXYLIC ACID

  • Product code: SSC-139944
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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: 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 337919-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

337919-65-0 / 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid

Standard CAS: 337919-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
337919-65-0
Multi CAS
No
Molecular Formula
C12H12CLF3N2O2
Molecular Weight
308.680000
Exact Mass
308.053940
InChI
InChI=1S/C12H12ClF3N2O2/c13-9-5-8(12(14,15)16)6-17-10(9)18-3-1-7(2-4-18)11(19)20/h5-7H,1-4H2,(H,19,20)
InChIKey
GBLCZMUANRHJIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.82
TPSA
53.43

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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