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CAS 100383-04-8 1H-Pyrrolo[2,3-b]pyridin-5-ol,2,3-dihydro-(6CI) molecular structure lightbox
CAS RN: 100383-04-8

1H-Pyrrolo[2,3-b]pyridin-5-ol,2,3-dihydro-(6CI)

  • Product code: SSC-000925
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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 100383-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

100383-04-8 / 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ol

2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ol | MFCD18810458 | 1H,2H,3H-pyrrolo[2,3-b]pyridin-5-ol

Standard CAS: 100383-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100383-04-8
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
C1CNC2=C1C=C(C=N2)O
InChI
InChI=1S/C7H8N2O/c10-6-3-5-1-2-8-7(5)9-4-6/h3-4,10H,1-2H2,(H,8,9)
InChIKey
LKJMGGJATZEZHD-UHFFFAOYSA-N
Synonyms
2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ol MFCD18810458 1H,2H,3H-pyrrolo[2,3-b]pyridin-5-ol SCHEMBL21573715 AC9486

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.1
TPSA
45.15

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

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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