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CAS 74420-05-6 4-CHLORO-1-METHYL-1H-PYRROLO[2,3-B]PYRIDINE molecular structure lightbox
CAS RN: 74420-05-6

4-CHLORO-1-METHYL-1H-PYRROLO[2,3-B]PYRIDINE

  • Product code: SSC-183879
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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 74420-05-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

74420-05-6 / 4-chloro-1-methylpyrrolo[2,3-b]pyridine

Standard CAS: 74420-05-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74420-05-6
Multi CAS
No
Molecular Formula
C8H7CLN2
Molecular Weight
166.610000
Exact Mass
166.029776
InChI
InChI=1S/C8H7ClN2/c1-11-5-3-6-7(9)2-4-10-8(6)11/h2-5H,1H3
InChIKey
GYGRXUOVLHHEMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
45.72
TPSA
17.82

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.16

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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