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CAS 1086389-94-7 3,5-DibroMo-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1086389-94-7

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-009907
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • 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 1086389-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shenzhen Inquiry

1086389-94-7 / 3,5-dibromo-1H-pyrrolo[2,3-b]pyridine

3,5-DIBROMO-1H-PYRROLO[2,3-B]PYRIDINE | 2,5-Dibromo-1H-pyrrolo[2,3-b]pyridine | MFCD11046227

Standard CAS: 1086389-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1086389-94-7
Multi CAS
Yes
Molecular Formula
C7H4Br2N2
Molecular Weight
275.930000
Exact Mass
275.872070
SMILES
C1=C(C=NC2=C1C(=CN2)Br)Br
InChI
InChI=1S/C7H4Br2N2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
InChIKey
XXYBAFJGRDWBQE-UHFFFAOYSA-N
Synonyms
3,5-DIBROMO-1H-PYRROLO[2,3-B]PYRIDINE 2,5-Dibromo-1H-pyrrolo[2,3-b]pyridine MFCD11046227 MFCD23140729 BS-25717

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.49
TPSA
28.68

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.21

Drug-likeness / Medicinal Chemistry

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

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