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CAS 1211589-13-7 3-Bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one molecular structure lightbox
CAS RN: 1211589-13-7

3-Bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-022865
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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: 0.25g
  • 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 1211589-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1211589-13-7 / 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

3-bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one | MFCD18256432 | 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Standard CAS: 1211589-13-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1211589-13-7
Multi CAS
Yes
Molecular Formula
C7H5BrN2O
Molecular Weight
213.030000
Exact Mass
211.958530
SMILES
C1C2=C(C=C(C=N2)Br)C(=O)N1
InChI
InChI=1S/C7H5BrN2O/c8-4-1-5-6(9-2-4)3-10-7(5)11/h1-2H,3H2,(H,10,11)
InChIKey
OQBWNLYBVXMBDO-UHFFFAOYSA-N
Synonyms
3-bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one MFCD18256432 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one SCHEMBL17141532 DTXSID30744768

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.11
TPSA
41.99

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
0.4
Consensus LogP
0.82
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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