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CAS 893566-75-1 TERT-BUTYL 8-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE molecular structure lightbox
CAS RN: 893566-75-1

TERT-BUTYL 8-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-201259
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 25g, 10g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 893566-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 3 In Stock Shanghai Inquiry
0.25g ≥98% 2 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

893566-75-1 / tert-butyl 8-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate

Standard CAS: 893566-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893566-75-1
Multi CAS
No
Molecular Formula
BC14H18O2Rn
Molecular Weight
312.200000
Exact Mass
311.052090
InChI
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-10-5-4-6-12(15)11(10)9-16/h4-6H,7-9H2,1-3H3
InChIKey
GKXSAKJDUDGJFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.49
TPSA
29.54

LogP / Solubility

WLOGP
3.74
MLOGP
3.31
XLogP3
3.3
Consensus LogP
3.45
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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