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CAS 59961-00-1 6-broMo-2-Methyl-1,2,3,4-tetrahydroisoquinoline molecular structure lightbox
CAS RN: 59961-00-1

6-broMo-2-Methyl-1,2,3,4-tetrahydroisoquinoline

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260515 100mg In stock Inquiry
Batchno.20251017 1g In stock Inquiry
Batchno.20250810 250mg In stock Inquiry
  • Product code: SSC-168536
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 59961-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry

59961-00-1 / 6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline

Standard CAS: 59961-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59961-00-1
Multi CAS
No
Molecular Formula
BC10H12Rn
Molecular Weight
226.110000
Exact Mass
225.015310
InChI
InChI=1S/C10H12BrN/c1-12-5-4-8-6-10(11)3-2-9(8)7-12/h2-3,6H,4-5,7H2,1H3
InChIKey
XBWCPPFVDGLVMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
Molar refractivity
54.18
TPSA
3.24

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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