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CAS 1396777-75-5 Spiro[cyclopropane-1,4′(1’H)-isoquinolin]-1′-one, 6′-bromo-2′,3′-dihydro- molecular structure lightbox
CAS RN: 1396777-75-5

Spiro[cyclopropane-1,4′(1’H)-isoquinolin]-1′-one, 6′-bromo-2′,3′-dihydro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-050266
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥98%
  • 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 1396777-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥98% 0 Out of Stock Hong Kong Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

1396777-75-5 / 6-bromospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

Standard CAS: 1396777-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1396777-75-5
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
C1CC12CNC(=O)C3=C2C=C(C=C3)Br
InChI
InChI=1S/C11H10BrNO/c12-7-1-2-8-9(5-7)11(3-4-11)6-13-10(8)14/h1-2,5H,3-4,6H2,(H,13,14)
InChIKey
LLNXYASMZYLOCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.39
TPSA
29.1

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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