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CAS 1067193-34-3 5-Fluoro-7-azaindole-3-carboxylic acid molecular structure lightbox
CAS RN: 1067193-34-3

5-Fluoro-7-azaindole-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008254
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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 1067193-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1067193-34-3 / 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid | 6-Fluoro-1H-benzo[d]imidazole-4-carboxylic acid | 6-fluoro-1H-benzimidazole-4-carboxylic acid

Standard CAS: 1067193-34-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1067193-34-3
Multi CAS
Yes
Molecular Formula
C8H5FN2O2
Molecular Weight
180.140000
Exact Mass
180.033506
SMILES
C1=C(C=NC2=C1C(=CN2)C(=O)O)F
InChI
InChI=1S/C8H5FN2O2/c9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h1-3H,(H,10,11)(H,12,13)
InChIKey
QPXLPJIMEKHJJA-UHFFFAOYSA-N
Synonyms
6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid 6-Fluoro-1H-benzo[d]imidazole-4-carboxylic acid 6-fluoro-1H-benzimidazole-4-carboxylic acid 6-Fluoro-1H-benzoimidazole-4-carboxylic acid MFCD12912801

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.01
TPSA
65.98

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
0.9
Consensus LogP
1.18
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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