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CAS 2007919-12-0 5-bromo-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 2007919-12-0

5-bromo-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-094703
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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 2007919-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2007919-12-0 / 5-bromo-4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-3-carboxylic acid

Standard CAS: 2007919-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007919-12-0
Multi CAS
No
Molecular Formula
C8H5BrN2O3
Molecular Weight
257.040000
Exact Mass
255.948350
SMILES
C1=C(C2=C(N1)NC=C(C2=O)Br)C(=O)O
InChI
InChI=1S/C8H5BrN2O3/c9-4-2-11-7-5(6(4)12)3(1-10-7)8(13)14/h1-2H,(H,13,14)(H2,10,11,12)
InChIKey
PCAPAGSKCXAKIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
53.58
TPSA
85.95

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

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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