[email protected]
CAS 885518-57-0 4,6-DIBROMO-1H-INDAZOLE-3-CARBOXALDEHYDE molecular structure lightbox
CAS RN: 885518-57-0

4,6-DIBROMO-1H-INDAZOLE-3-CARBOXALDEHYDE

  • Product code: SSC-199505
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 885518-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

885518-57-0 / 4,6-dibromo-2H-indazole-3-carbaldehyde

Standard CAS: 885518-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885518-57-0
Multi CAS
No
Molecular Formula
C8H4BR2N2O
Molecular Weight
303.940000
Exact Mass
303.866990
InChI
InChI=1S/C8H4Br2N2O/c9-4-1-5(10)8-6(2-4)11-12-7(8)3-13/h1-3H,(H,11,12)
InChIKey
OMTFHDJTXYJYKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.88
TPSA
45.75

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us