![CAS 800401-71-2 “5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/800401-71-2.gif)
CAS RN: 800401-71-2
“5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid”
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260416 | 100mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251116 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260526 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250402 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250902 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260628 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-189057
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
800401-71-2 / 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
Basic Information
CAS
800401-71-2
Multi CAS
No
Molecular Formula
BC8H5O2Rn2
Molecular Weight
241.040000
Exact Mass
239.953440
InChI
InChI=1S/C8H5BrN2O2/c9-7-2-4-1-5(8(12)13)11-6(4)3-10-7/h1-3,11H,(H,12,13)
InChIKey
NNWNNQTUZYVQRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.75
TPSA
65.98
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.9
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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