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CAS 887568-73-2 6-BROMO-4-METHOXY-3-(1H)INDAZOLE CARBOXALDEHYDE molecular structure lightbox
CAS RN: 887568-73-2

6-BROMO-4-METHOXY-3-(1H)INDAZOLE CARBOXALDEHYDE

  • Product code: SSC-200322
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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: 1g
  • 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 887568-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

887568-73-2 / 6-bromo-4-methoxy-2H-indazole-3-carbaldehyde

Standard CAS: 887568-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887568-73-2
Multi CAS
No
Molecular Formula
BC9H7O2Rn2
Molecular Weight
255.070000
Exact Mass
253.969090
InChI
InChI=1S/C9H7BrN2O2/c1-14-8-3-5(10)2-6-9(8)7(4-13)12-11-6/h2-4H,1H3,(H,11,12)
InChIKey
UMRTZJMJZYVEAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.73
TPSA
54.98

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2
Consensus LogP
2.02
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.75

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

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