[email protected]
CAS 1187020-80-9 lumateperone (Tosylate) molecular structure lightbox
CAS RN: 1187020-80-9

lumateperone (Tosylate)

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 100mg In stock Inquiry
Batchno.20250613 10mg In stock Inquiry
Batchno.20251005 25mg In stock Inquiry
Batchno.20260318 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 5mg / 10mg / 25mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 100mg In stock Shanghai Inquiry
Batchno.20260306 10mg In stock Shanghai Inquiry
Batchno.20260410 1mg In stock Shanghai Inquiry
Batchno.20250720 250mg In stock Shanghai Inquiry
Batchno.20250208 25mg In stock Shanghai Inquiry
Batchno.20251108 50mg In stock Shanghai Inquiry
Batchno.20260325 5mg In stock Shanghai Inquiry
  • Product code: SSC-018621
GET A QUOTE
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
Request Bulk Quote

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 1187020-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1187020-80-9 / 1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one;4-methylbenzenesulfonic acid

lumateperone Tosylate | ITI-007 tosylate | Caplyta

Standard CAS: 1187020-80-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187020-80-9
Multi CAS
Yes
Molecular Formula
C31H36FN3O4S
Molecular Weight
565.700000
Exact Mass
565.241056
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1
InChIKey
LHAPOGAFBLSJJQ-GUTACTQSSA-N
Synonyms
lumateperone Tosylate ITI-007 tosylate Caplyta JIE88N006O DTXSID701026210

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
155.6
TPSA
81.16

LogP / Solubility

WLOGP
5.16
MLOGP
4.58
XLogP3
5.16
Consensus LogP
4.97
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H336 (50%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H361f (50%): Suspected of damaging fertility [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P271, P280, P304+P340, P318, P319, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us