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CAS 178268-92-3 1H-Pyrrolo[3,2-c]pyridine, 4-chloro-6-Methyl- molecular structure lightbox
CAS RN: 178268-92-3

1H-Pyrrolo[3,2-c]pyridine, 4-chloro-6-Methyl-

  • Product code: SSC-078732
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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 178268-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

178268-92-3 / 4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine

Standard CAS: 178268-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178268-92-3
Multi CAS
No
Molecular Formula
C8H7ClN2
Molecular Weight
166.610000
Exact Mass
166.029776
SMILES
CC1=CC2=C(C=CN2)C(=N1)Cl
InChI
InChI=1S/C8H7ClN2/c1-5-4-7-6(2-3-10-7)8(9)11-5/h2-4,10H,1H3
InChIKey
NBOKVMPHGHXANL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.84
TPSA
28.68

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-1.94

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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