![CAS 1092579-95-7 5-BroMo-4-Methoxy-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092579-95-7.gif)
CAS RN: 1092579-95-7
5-BroMo-4-Methoxy-1H-pyrrolo[2,3-b]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260126 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-010501
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: 0.1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1092579-95-7 / 5-bromo-4-methoxy-1H-pyrrolo[2,3-b]pyridine
5-Bromo-4-methoxy-1H-pyrrolo[2,3-b]pyridine | MFCD13193526 | SCHEMBL1566092
Basic Information
CAS
1092579-95-7
Multi CAS
No
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
COC1=C2C=CNC2=NC=C1Br
InChI
InChI=1S/C8H7BrN2O/c1-12-7-5-2-3-10-8(5)11-4-6(7)9/h2-4H,1H3,(H,10,11)
InChIKey
SEUVNYSXBIDWQO-UHFFFAOYSA-N
Synonyms
5-Bromo-4-methoxy-1H-pyrrolo[2,3-b]pyridine
MFCD13193526
SCHEMBL1566092
DTXSID20727045
SEUVNYSXBIDWQO-UHFFFAOYSA-N
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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