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CAS 800402-07-7 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 800402-07-7

6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 1g In stock Inquiry
Batchno.20250109 250mg In stock Inquiry
Batchno.20251013 50mg In stock Inquiry
Batchno.20260423 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 100mg / 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-189061
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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 800402-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

800402-07-7 / 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Standard CAS: 800402-07-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
800402-07-7
Multi CAS
Yes
Molecular Formula
C8H5CLN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
InChI
InChI=1S/C8H5ClN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
InChIKey
MFMDNNLHOKXYLL-UHFFFAOYSA-N

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
48.06
TPSA
65.98

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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