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CAS 1033836-12-2 3-PYRIDINECARBOXAMIDE, 6-(3-FLUOROPHENYL)-N-[1-(2,2,2-TRIFLUOROETHYL)-4-PIPERIDINYL]- molecular structure lightbox
CAS RN: 1033836-12-2

3-PYRIDINECARBOXAMIDE, 6-(3-FLUOROPHENYL)-N-[1-(2,2,2-TRIFLUOROETHYL)-4-PIPERIDINYL]-

Product Availability

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9 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251016 1mg / 5mg / 10mg / 50mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260215 100mg Out of stock Inquiry
Batchno.20250401 10mg In stock Shanghai Inquiry
Batchno.20260329 1g Out of stock Inquiry
Batchno.20250519 1mg In stock Shanghai Inquiry
Batchno.20260226 250mg Out of stock Inquiry
Batchno.20250628 25mg Out of stock Inquiry
Batchno.20250122 50mg Out of stock Inquiry
Batchno.20250410 5mg In stock Shanghai Inquiry
  • Product code: SSC-004907
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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
  • 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 1033836-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1033836-12-2 / 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

HPGDS inhibitor 1 | HPGDS-inhibitor-1 | 6-(3-fluorophenyl)-N-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)nicotinamide

Standard CAS: 1033836-12-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1033836-12-2
Multi CAS
Yes
Molecular Formula
C19H19F4N3O
Molecular Weight
381.400000
Exact Mass
381.146425
SMILES
C1CN(CCC1NC(=O)C2=CN=C(C=C2)C3=CC(=CC=C3)F)CC(F)(F)F
InChI
InChI=1S/C19H19F4N3O/c20-15-3-1-2-13(10-15)17-5-4-14(11-24-17)18(27)25-16-6-8-26(9-7-16)12-19(21,22)23/h1-5,10-11,16H,6-9,12H2,(H,25,27)
InChIKey
LPUCBGGXXIUBAZ-UHFFFAOYSA-N
Synonyms
HPGDS inhibitor 1 HPGDS-inhibitor-1 6-(3-fluorophenyl)-N-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)nicotinamide 6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide HPGDS Inhibitor I

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.61
TPSA
45.23

LogP / Solubility

WLOGP
3.64
MLOGP
3.23
XLogP3
3.6
Consensus LogP
3.49
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

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

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