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CAS 146939-27-7 Ziprasidone molecular structure lightbox
CAS RN: 146939-27-7

Ziprasidone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260317 100mg / 500mg / 1g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-057801
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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 146939-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

146939-27-7 / 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one

Standard CAS: 146939-27-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
146939-27-7
Multi CAS
No
Molecular Formula
C21H21ClN4OS
Molecular Weight
412.900000
Exact Mass
412.112460
SMILES
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
InChI
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
InChIKey
MVWVFYHBGMAFLY-UHFFFAOYSA-N

Physical Properties

Melting Point
>276°C (Ziprasidone Hydrochloride Monohydrate) > 300 °C
Physical Description
Solid
State
Solid
Storage Conditions
Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature -20 °C; Storage class (TRGS 510): Flammable liquids

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.76
TPSA
48.47

LogP / Solubility

WLOGP
3.81
MLOGP
3.38
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Health Hazard Irritant Flammable
Signal
Warning Danger
GHS Hazard Statements
H373 (98.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H225: Highly Flammable liquid and vapor [Danger Flammable liquids] H315: Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P319, and P501 P203, P261, P271, P280, P304+P340, P318, P319, P403+P233, P405, and P501 P203, P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P318, P321, P332+P317, P362+P364, P370+P378, P403+P235, P405, and P501

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