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CAS 1191901-07-1 Brexpiprazole Intermediate 1 molecular structure lightbox
CAS RN: 1191901-07-1

Brexpiprazole Intermediate 1

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250706 1g In stock Shanghai, Shandong Inquiry
Batchno.20260223 25g Out of stock 5-7 business days Inquiry
Batchno.20250905 5g In stock Shanghai Inquiry
  • Product code: SSC-019652
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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: 5g
  • 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 1191901-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1191901-07-1 / tert-butyl 4-(1-benzothiophen-4-yl)piperazine-1-carboxylate

tert-butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate | MFCD27918709 | tert-butyl 4-(1-benzothiophen-4-yl)piperazine-1-carboxylate

Standard CAS: 1191901-07-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1191901-07-1
Multi CAS
No
Molecular Formula
C17H22N2O2S
Molecular Weight
318.400000
Exact Mass
318.140199
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CSC3=CC=C2
InChI
InChI=1S/C17H22N2O2S/c1-17(2,3)21-16(20)19-10-8-18(9-11-19)14-5-4-6-15-13(14)7-12-22-15/h4-7,12H,8-11H2,1-3H3
InChIKey
CCKKZUUXAAEVRO-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate MFCD27918709 tert-butyl 4-(1-benzothiophen-4-yl)piperazine-1-carboxylate 1-Piperazinecarboxylic acid, 4-benzo[b]thien-4-yl-, 1,1-dimethylethyl ester tert-butyl4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
91.85
TPSA
32.78

LogP / Solubility

WLOGP
3.96
MLOGP
3.5
XLogP3
3.7
Consensus LogP
3.72
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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
No
Log Kp (skin permeation)
-1.85

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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