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CAS 21928-50-7 4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine molecular structure lightbox
CAS RN: 21928-50-7

4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-105497
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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: 5g
  • 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 21928-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

21928-50-7 / 4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

Standard CAS: 21928-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21928-50-7
Multi CAS
No
Molecular Formula
C12H13ClF3NO
Molecular Weight
279.680000
Exact Mass
279.063776
SMILES
C1CNCCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O
InChI
InChI=1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2
InChIKey
RALRVIPTUXSBPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.45
TPSA
32.26

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.67
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.35

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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