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CAS 17288-50-5 5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 17288-50-5

5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBALDEHYDE

  • Product code: SSC-075952
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17288-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

17288-50-5 / 5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde

Standard CAS: 17288-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17288-50-5
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
COC1=NC2=C(C=C1)NC(=C2)C=O
InChI
InChI=1S/C9H8N2O2/c1-13-9-3-2-7-8(11-9)4-6(5-12)10-7/h2-5,10H,1H3
InChIKey
CRYWKVXCWDXHPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.03
TPSA
54.98

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.81

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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