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CAS 1000340-71-5 6-BROMO-7-METHYL-3-(1H)INDAZOLECARBOXYLIC ACID molecular structure lightbox
CAS RN: 1000340-71-5

6-BROMO-7-METHYL-3-(1H)INDAZOLECARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-000116
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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 1000340-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1000340-71-5 / 6-bromo-7-methyl-2H-indazole-3-carboxylic acid

6-Bromo-7-methyl-1H-indazole-3-carboxylic acid | 1000340-71-5 | MFCD09027042

Standard CAS: 1000340-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000340-71-5
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
CC1=C(C=CC2=C(NN=C12)C(=O)O)Br
InChI
InChI=1S/C9H7BrN2O2/c1-4-6(10)3-2-5-7(4)11-12-8(5)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKey
ULINCJQNTOFFNO-UHFFFAOYSA-N
Synonyms
6-Bromo-7-methyl-1H-indazole-3-carboxylic acid 1000340-71-5 MFCD09027042 6-bromo-7-methyl-2H-indazole-3-carboxylic acid 1H-Indazole-3-carboxylic acid, 6-bromo-7-methyl-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.49
TPSA
65.98

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.62

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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