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CAS 1134328-15-6 5-Bromo-6-methoxy-1H-indazole-3-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 1134328-15-6

5-Bromo-6-methoxy-1H-indazole-3-carboxylic acid methyl ester

  • Product code: SSC-013560
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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 1134328-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1134328-15-6 / methyl 5-bromo-6-methoxy-1H-indazole-3-carboxylate

methyl 5-bromo-6-methoxy-1H-indazole-3-carboxylate | 5-BROMO-6-METHOXY-1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER | MFCD11858405

Standard CAS: 1134328-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134328-15-6
Multi CAS
No
Molecular Formula
C10H9BrN2O3
Molecular Weight
285.090000
Exact Mass
283.979650
SMILES
COC1=C(C=C2C(=C1)NN=C2C(=O)OC)Br
InChI
InChI=1S/C10H9BrN2O3/c1-15-8-4-7-5(3-6(8)11)9(13-12-7)10(14)16-2/h3-4H,1-2H3,(H,12,13)
InChIKey
INTKEYLIECPVQT-UHFFFAOYSA-N
Synonyms
methyl 5-bromo-6-methoxy-1H-indazole-3-carboxylate 5-BROMO-6-METHOXY-1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER MFCD11858405 1H-Indazole-3-carboxylic acid, 5-bromo-6-methoxy-, methyl ester SCHEMBL29122039

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.69
TPSA
64.21

LogP / Solubility

WLOGP
2.12
MLOGP
1.88
XLogP3
2.4
Consensus LogP
2.13
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

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