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CAS 1111637-94-5 5-Bromo-3-methyl-7-azaindole molecular structure lightbox
CAS RN: 1111637-94-5

5-Bromo-3-methyl-7-azaindole

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260224 100mg In stock Shanghai Inquiry
Batchno.20250503 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250225 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251122 250mg In stock Shanghai Inquiry
Batchno.20260511 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-012024
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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 1111637-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1111637-94-5 / 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine | DTXSID40670261 | 5-bromo-3-methyl-1h-pyrrolo(2,3-b)pyridine

Standard CAS: 1111637-94-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1111637-94-5
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=CNC2=C1C=C(C=N2)Br
InChI
InChI=1S/C8H7BrN2/c1-5-3-10-8-7(5)2-6(9)4-11-8/h2-4H,1H3,(H,10,11)
InChIKey
KFXLHKPTNMYOLR-UHFFFAOYSA-N
Synonyms
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine DTXSID40670261 5-bromo-3-methyl-1h-pyrrolo(2,3-b)pyridine RefChem:301809 DTXCID80621010

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.53
TPSA
28.68

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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