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CAS 1190316-18-7 6-Fluoro-4-azaindole-3-carboxylic acid molecular structure lightbox
CAS RN: 1190316-18-7

6-Fluoro-4-azaindole-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-019375
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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 1190316-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1190316-18-7 / 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

6-Fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | MFCD12962612 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 6-fluoro-

Standard CAS: 1190316-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190316-18-7
Multi CAS
No
Molecular Formula
C8H5FN2O2
Molecular Weight
180.140000
Exact Mass
180.033506
SMILES
C1=C(C=NC2=C1NC=C2C(=O)O)F
InChI
InChI=1S/C8H5FN2O2/c9-4-1-6-7(11-2-4)5(3-10-6)8(12)13/h1-3,10H,(H,12,13)
InChIKey
LWLWUALFRLGQJB-UHFFFAOYSA-N
Synonyms
6-Fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid MFCD12962612 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 6-fluoro- 6-FLUORO-4-AZAINDOLE-3-CARBOXYLIC ACID 6-Fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid

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
0.7
Consensus LogP
1.11
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

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