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CAS 791778-53-5 Cariprazine Impurity 3 molecular structure lightbox
CAS RN: 791778-53-5

Cariprazine Impurity 3

  • Product code: SSC-188407
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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: 1g
  • 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 791778-53-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

791778-53-5 / 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

Standard CAS: 791778-53-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
791778-53-5
Multi CAS
No
Molecular Formula
C18H27CL2N3
Molecular Weight
356.300000
Exact Mass
355.158203
InChI
InChI=1S/C18H27Cl2N3/c19-16-2-1-3-17(18(16)20)23-12-10-22(11-13-23)9-8-14-4-6-15(21)7-5-14/h1-3,14-15H,4-13,21H2
InChIKey
OSFYUOBMIMRRQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.67
TPSA
32.5

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
4.1
Consensus LogP
3.89
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04

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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