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CAS 1021859-29-9 6-Bromo-1-methyl-1H-indaz… molecular structure lightbox
CAS RN: 1021859-29-9

6-Bromo-1-methyl-1H-indaz…

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251105 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-003447
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1021859-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

1021859-29-9 / 6-bromo-1-methylindazole-3-carboxylic acid

6-bromo-1-methylindazole-3-carboxylic acid | RefChem:540579 | 814-278-3

Standard CAS: 1021859-29-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1021859-29-9
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
CN1C2=C(C=CC(=C2)Br)C(=N1)C(=O)O
InChI
InChI=1S/C9H7BrN2O2/c1-12-7-4-5(10)2-3-6(7)8(11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKey
OPJAPPYKVWTEQM-UHFFFAOYSA-N
Synonyms
6-bromo-1-methylindazole-3-carboxylic acid RefChem:540579 814-278-3 6-BROMO-1-METHYL-1H-INDAZOLE-3-CARBOXYLIC ACID MFCD15071436

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.37
TPSA
55.12

LogP / Solubility

WLOGP
2.03
MLOGP
1.8
XLogP3
2.1
Consensus LogP
1.98
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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