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CAS 1159511-75-7 7-BroMo-3-Methyl-1H-indaz… molecular structure lightbox
CAS RN: 1159511-75-7

7-BroMo-3-Methyl-1H-indaz…

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 100mg / 250mg / 500mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-015771
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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 1159511-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1159511-75-7 / 7-bromo-3-methyl-2H-indazole

7-Bromo-3-methyl-1H-indazole | 7-bromo-3-methyl-2H-indazole | 1H-Indazole, 7-bromo-3-methyl-

Standard CAS: 1159511-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159511-75-7
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=C2C=CC=C(C2=NN1)Br
InChI
InChI=1S/C8H7BrN2/c1-5-6-3-2-4-7(9)8(6)11-10-5/h2-4H,1H3,(H,10,11)
InChIKey
WCDHQZBKTKFKRJ-UHFFFAOYSA-N
Synonyms
7-Bromo-3-methyl-1H-indazole 7-bromo-3-methyl-2H-indazole 1H-Indazole, 7-bromo-3-methyl- MFCD12028618 7-Bromo-3-methylindazole

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.53
TPSA
28.68

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.14

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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