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CAS 1190315-07-1 5-Chloro-6-Methoxy-7-azaindole molecular structure lightbox
CAS RN: 1190315-07-1

5-Chloro-6-Methoxy-7-azaindole

  • Product code: SSC-019360
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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: ＞97%
  • 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 1190315-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1190315-07-1 / 5-chloro-6-methoxy-1H-pyrrolo[2,3-b]pyridine

5-chloro-6-methoxy-1H-pyrrolo[2,3-b]pyridine | 5-CHLORO-6-METHOXY-7-AZAINDOLE | 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-6-methoxy-

Standard CAS: 1190315-07-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190315-07-1
Multi CAS
No
Molecular Formula
C8H7ClN2O
Molecular Weight
182.610000
Exact Mass
182.024691
SMILES
COC1=C(C=C2C=CNC2=N1)Cl
InChI
InChI=1S/C8H7ClN2O/c1-12-8-6(9)4-5-2-3-10-7(5)11-8/h2-4H,1H3,(H,10,11)
InChIKey
LPOXALJAFJSYRZ-UHFFFAOYSA-N
Synonyms
5-chloro-6-methoxy-1H-pyrrolo[2,3-b]pyridine 5-CHLORO-6-METHOXY-7-AZAINDOLE 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-6-methoxy- MFCD12962802 AKOS025149190

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.66
TPSA
37.91

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.25

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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