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CAS 433303-94-7 Brexpiprazole Impurity 76 molecular structure lightbox
CAS RN: 433303-94-7

Brexpiprazole Impurity 76

  • Product code: SSC-151594
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 433303-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Shenzhen Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

433303-94-7 / 1-(1-benzothiophen-5-yl)piperazine

Standard CAS: 433303-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
433303-94-7
Multi CAS
No
Molecular Formula
C12H14N2S
Molecular Weight
218.320000
Exact Mass
218.087770
InChI
InChI=1S/C12H14N2S/c1-2-12-10(3-8-15-12)9-11(1)14-6-4-13-5-7-14/h1-3,8-9,13H,4-7H2
InChIKey
YGAGYXZPHGMRHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.91
TPSA
15.27

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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