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CAS 203395-81-7 Deschloroaripiprazole molecular structure lightbox
CAS RN: 203395-81-7

Deschloroaripiprazole

  • Product code: SSC-095749
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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 203395-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

203395-81-7 / 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

Standard CAS: 203395-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203395-81-7
Multi CAS
No
Molecular Formula
C23H28ClN3O2
Molecular Weight
413.900000
Exact Mass
413.187005
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H28ClN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28)
InChIKey
YZWZYPOWFMWSAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
118.23
TPSA
44.81

LogP / Solubility

WLOGP
4.21
MLOGP
3.73
XLogP3
4
Consensus LogP
3.98
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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