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CAS 1053655-78-9 3-broMo-4-Methoxy-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1053655-78-9

3-broMo-4-Methoxy-1H-pyrrolo[2,3-b]pyridine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260622 1g In stock Tianjin Inquiry
Batchno.20250807 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260311 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-007104
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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 1053655-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1053655-78-9 / 3-bromo-4-methoxy-1H-pyrrolo[2,3-b]pyridine

3-Bromo-4-methoxy-1H-pyrrolo[2,3-b]pyridine | MFCD10699217 | SCHEMBL25249416

Standard CAS: 1053655-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1053655-78-9
Multi CAS
No
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
COC1=C2C(=CNC2=NC=C1)Br
InChI
InChI=1S/C8H7BrN2O/c1-12-6-2-3-10-8-7(6)5(9)4-11-8/h2-4H,1H3,(H,10,11)
InChIKey
YUODGIIDEORCCN-UHFFFAOYSA-N
Synonyms
3-Bromo-4-methoxy-1H-pyrrolo[2,3-b]pyridine MFCD10699217 SCHEMBL25249416 SCHEMBL30548019 DTXSID80653331

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
50.35
TPSA
37.91

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

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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