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CAS 1053655-76-7 3-broMo-5-Methoxy-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1053655-76-7

3-broMo-5-Methoxy-1H-pyrrolo[2,3-b]pyridine

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260628 1g Out of stock Inquiry
Batchno.20260318 250mg Out of stock Inquiry
Batchno.20251101 5g Out of stock Inquiry
  • Product code: SSC-007103
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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 1053655-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1053655-76-7 / 3-bromo-5-methoxy-1H-pyrrolo[2,3-b]pyridine

3-Bromo-5-methoxy-1H-pyrrolo[2,3-b]pyridine | 3-BROMO-5-METHOXY-7-AZAINDOLE | MFCD10699216

Standard CAS: 1053655-76-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1053655-76-7
Multi CAS
Yes
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
COC1=CC2=C(NC=C2Br)N=C1
InChI
InChI=1S/C8H7BrN2O/c1-12-5-2-6-7(9)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)
InChIKey
ORLBCCYCMDWJEF-UHFFFAOYSA-N
Synonyms
3-Bromo-5-methoxy-1H-pyrrolo[2,3-b]pyridine 3-BROMO-5-METHOXY-7-AZAINDOLE MFCD10699216 SCHEMBL1047222 SCHEMBL30548012

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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