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CAS 1992047-65-0 PPTN hydrochloride molecular structure lightbox
CAS RN: 1992047-65-0

PPTN hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251020 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-093805
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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 1992047-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1992047-65-0 / 4-(4-piperidin-4-ylphenyl)-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid;hydrochloride

Standard CAS: 1992047-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1992047-65-0
Multi CAS
No
Molecular Formula
C29H25ClF3NO2
Molecular Weight
512.000000
Exact Mass
511.152591
SMILES
C1CNCCC1C2=CC=C(C=C2)C3=C4C=CC(=CC4=CC(=C3)C(=O)O)C5=CC=C(C=C5)C(F)(F)F.Cl
InChI
InChI=1S/C29H24F3NO2.ClH/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20;/h1-10,15-17,20,33H,11-14H2,(H,34,35);1H
InChIKey
FKMVYPCBLWYNAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
22
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
138.87
TPSA
49.33

LogP / Solubility

WLOGP
7.78
MLOGP
6.88
XLogP3
7.78
Consensus LogP
7.48
Log S (ESOL)
-8.1
Class (ESOL)
Insoluble
Log S (Ali)
-9.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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