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CAS 215184-78-4 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 215184-78-4

5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260403 100g In stock Shanghai Inquiry
Batchno.20260116 10g In stock Shanghai Inquiry
Batchno.20260620 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250830 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250608 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260115 500g In stock Shanghai Inquiry
Batchno.20260328 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-103122
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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, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 9
  • 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 215184-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g >98% 2 In Stock Shenzhen Inquiry
10g >98% 2 In Stock Hong Kong Inquiry
10g -- 1 In Stock Shenzhen Inquiry
25g >98% 1 In Stock Shanghai Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Shenzhen Inquiry

215184-78-4 / tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate

Standard CAS: 215184-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215184-78-4
Multi CAS
No
Molecular Formula
C14H18BrNO2
Molecular Weight
312.200000
Exact Mass
311.052090
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2Br
InChI
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9H2,1-3H3
InChIKey
YSAAGRAKROVFRY-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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