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CAS 610796-21-9 4-BROMO-5-ISOPROPYL-1H-INDAZOLE molecular structure lightbox
CAS RN: 610796-21-9

4-BROMO-5-ISOPROPYL-1H-INDAZOLE

  • Product code: SSC-169844
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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: ＞97%
  • 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 610796-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

610796-21-9 / 4-bromo-5-propan-2-yl-1H-indazole

Standard CAS: 610796-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
610796-21-9
Multi CAS
No
Molecular Formula
BC10H11Rn2
Molecular Weight
239.110000
Exact Mass
238.010560
InChI
InChI=1S/C10H11BrN2/c1-6(2)7-3-4-9-8(10(7)11)5-12-13-9/h3-6H,1-2H3,(H,12,13)
InChIKey
YKZRMRNUPRUYCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.88
TPSA
28.68

LogP / Solubility

WLOGP
3.45
MLOGP
3.04
XLogP3
3.4
Consensus LogP
3.3
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
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)
-1.73

Drug-likeness / Medicinal Chemistry

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

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