[email protected]
CAS 1028252-13-2 4-Bromo-7-chloroisoquinolin-1(2H)-one molecular structure lightbox
CAS RN: 1028252-13-2

4-Bromo-7-chloroisoquinolin-1(2H)-one

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251221 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250318 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20251104 1g Out of stock Inquiry
Batchno.20251218 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-004169
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 1028252-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1028252-13-2 / 4-bromo-7-chloro-2H-isoquinolin-1-one

4-Bromo-7-chloroisoquinolin-1(2H)-one | 4-BROMO-7-CHLORO-2H-ISOQUINOLIN-1-ONE | MFCD13193317

Standard CAS: 1028252-13-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1028252-13-2
Multi CAS
Yes
Molecular Formula
C9H5BrClNO
Molecular Weight
258.500000
Exact Mass
256.924300
SMILES
C1=CC2=C(C=C1Cl)C(=O)NC=C2Br
InChI
InChI=1S/C9H5BrClNO/c10-8-4-12-9(13)7-3-5(11)1-2-6(7)8/h1-4H,(H,12,13)
InChIKey
DNIKNSRKTYSIMS-UHFFFAOYSA-N
Synonyms
4-Bromo-7-chloroisoquinolin-1(2H)-one 4-BROMO-7-CHLORO-2H-ISOQUINOLIN-1-ONE MFCD13193317 4-Bromo-7-chloroisoquinolin-1-ol SCHEMBL2617535

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.28
TPSA
32.86

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-2.21

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us