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CAS 1029720-67-9 5-broMo-3-chloroisoquinoline molecular structure lightbox
CAS RN: 1029720-67-9

5-broMo-3-chloroisoquinoline

  • Product code: SSC-004350
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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: 3
  • 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 1029720-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1029720-67-9 / 5-bromo-3-chloroisoquinoline

5-Bromo-3-chloroisoquinoline | RefChem:533471 | 692-494-5

Standard CAS: 1029720-67-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1029720-67-9
Multi CAS
No
Molecular Formula
C9H5BrClN
Molecular Weight
242.500000
Exact Mass
240.929390
SMILES
C1=CC2=CN=C(C=C2C(=C1)Br)Cl
InChI
InChI=1S/C9H5BrClN/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H
InChIKey
WSNRPWWRYCNOJB-UHFFFAOYSA-N
Synonyms
5-Bromo-3-chloroisoquinoline RefChem:533471 692-494-5 812-588-3 MFCD11044700

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.45
TPSA
12.89

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.8
Consensus LogP
3.56
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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