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CAS 380427-61-2 1-(2-broMophenyl)isoquinoline molecular structure lightbox
CAS RN: 380427-61-2

1-(2-broMophenyl)isoquinoline

  • Product code: SSC-145507
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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 380427-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

380427-61-2 / 1-(2-bromophenyl)isoquinoline

Standard CAS: 380427-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380427-61-2
Multi CAS
No
Molecular Formula
BC15H10Rn
Molecular Weight
284.150000
Exact Mass
282.999660
InChI
InChI=1S/C15H10BrN/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-10H
InChIKey
SJBAPHJRDIIHMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.88
TPSA
12.89

LogP / Solubility

WLOGP
4.66
MLOGP
4.11
XLogP3
4.5
Consensus LogP
4.42
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

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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