CAS RN: 1391052-94-0

LoperaMide IMpurity A

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251124 100mg In stock Shanghai Inquiry
Batchno.20260131 10mg In stock Shanghai Inquiry
Batchno.20260103 10mg / 25mg Out of stock 8-10 business days Inquiry
Batchno.20250207 250mg Out of stock Inquiry
Batchno.20250127 25mg In stock Shanghai Inquiry
Batchno.20260507 50mg In stock Shanghai Inquiry
  • Product code: SSC-049255
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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: 0.25g
  • 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 1391052-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1391052-94-0 / 4-[4-[4-(4-chlorophenyl)phenyl]-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

Standard CAS: 1391052-94-0 Multi CAS: No

Basic Information

CAS
1391052-94-0
Multi CAS
No
Molecular Formula
C35H37ClN2O2
Molecular Weight
553.100000
Exact Mass
552.254356
SMILES
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C35H37ClN2O2/c1-37(2)33(39)35(30-9-5-3-6-10-30,31-11-7-4-8-12-31)23-26-38-24-21-34(40,22-25-38)29-17-13-27(14-18-29)28-15-19-32(36)20-16-28/h3-20,40H,21-26H2,1-2H3
InChIKey
AYFNODUPEBZSRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
163.43
TPSA
43.78

LogP / Solubility

WLOGP
6.76
MLOGP
5.99
XLogP3
6.6
Consensus LogP
6.45
Log S (ESOL)
-7.44
Class (ESOL)
Insoluble
Log S (Ali)
-8.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.82
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)
-1.3

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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