![CAS 913181-71-2 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-broMo-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913181-71-2.gif)
CAS RN: 913181-71-2
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-broMo-, Methyl ester
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.20260409 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-204263
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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
913181-71-2 / methyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
913181-71-2
Multi CAS
Yes
Molecular Formula
BC9H7O2Rn2
Molecular Weight
255.070000
Exact Mass
253.969090
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-6(10)5-3-2-4-11-8(5)12-7/h2-4H,1H3,(H,11,12)
InChIKey
NUGPZYMNUNKLAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.13
TPSA
54.98
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
2.2
Consensus LogP
2.06
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
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)
-2.78
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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