[email protected]
CAS 1109230-25-2 5-BroMo-3,4-dihydroisoquinolin-1(2H)-one molecular structure lightbox
CAS RN: 1109230-25-2

5-BroMo-3,4-dihydroisoquinolin-1(2H)-one

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250327 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260411 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260120 25g In stock Shanghai Inquiry
Batchno.20260521 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011837
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1109230-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1109230-25-2 / 5-bromo-3,4-dihydro-2H-isoquinolin-1-one

5-bromo-1,2,3,4-tetrahydroisoquinolin-1-one | 5-BROMO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE | RefChem:532650

Standard CAS: 1109230-25-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1109230-25-2
Multi CAS
No
Molecular Formula
C9H8BrNO
Molecular Weight
226.070000
Exact Mass
224.978930
SMILES
C1CNC(=O)C2=C1C(=CC=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
InChIKey
LYXUIQHDUVHEMZ-UHFFFAOYSA-N
Synonyms
5-bromo-1,2,3,4-tetrahydroisoquinolin-1-one 5-BROMO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE RefChem:532650 822-157-1 5-bromo-3,4-dihydroisoquinolin-1(2H)-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.18
TPSA
29.1

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.87

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us