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CAS 1211584-54-1 5H-pyrrolo[3,4-b]pyridin-7(6H)-one molecular structure lightbox
CAS RN: 1211584-54-1

5H-pyrrolo[3,4-b]pyridin-7(6H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-022831
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1211584-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1211584-54-1 / 5,6-dihydropyrrolo[3,4-b]pyridin-7-one

5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one | 5H,6H,7H-pyrrolo(3,4-b)pyridin-7-one | RefChem:538169

Standard CAS: 1211584-54-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211584-54-1
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
C1C2=C(C(=O)N1)N=CC=C2
InChI
InChI=1S/C7H6N2O/c10-7-6-5(4-9-7)2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChIKey
CGULSYWKVCXEHE-UHFFFAOYSA-N
Synonyms
5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one 5H,6H,7H-pyrrolo(3,4-b)pyridin-7-one RefChem:538169 831-518-2 5H-pyrrolo[3,4-b]pyridin-7(6H)-one

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.41
TPSA
41.99

LogP / Solubility

WLOGP
0.33
MLOGP
0.28
Consensus LogP
0.2
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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