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CAS 67139-79-1 4,6-DICHLORO-1H-PYRROLO-[3,2-C]-PYRIDINE molecular structure lightbox
CAS RN: 67139-79-1

4,6-DICHLORO-1H-PYRROLO-[3,2-C]-PYRIDINE

  • Product code: SSC-176789
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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: 0.1g, 0.25g, 1g, 5g
  • 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 67139-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

67139-79-1 / 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine

Standard CAS: 67139-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67139-79-1
Multi CAS
No
Molecular Formula
C7H4CL2N2
Molecular Weight
187.020000
Exact Mass
185.975154
InChI
InChI=1S/C7H4Cl2N2/c8-6-3-5-4(1-2-10-5)7(9)11-6/h1-3,10H
InChIKey
ZTBYPLYMOIIANS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.11
TPSA
28.68

LogP / Solubility

WLOGP
2.87
MLOGP
2.52
XLogP3
2.9
Consensus LogP
2.76
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-1.82

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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