![CAS 2304635-61-6 {1H‐pyrrolo[2,3‐b]pyridin‐2‐yl}boronic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304635-61-6.gif)
CAS RN: 2304635-61-6
{1H‐pyrrolo[2,3‐b]pyridin‐2‐yl}boronic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260503 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260326 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251016 | 1g | Out of stock | Inquiry | ||
| Batchno.20250527 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251001 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS2304635-61-6
- Purity/Analytical Methods: >99.0%
2304635-61-6 / 1H-pyrrolo[2,3-b]pyridin-2-ylboronic acid;hydrochloride
Basic Information
CAS
2304635-61-6
Multi CAS
No
Molecular Formula
C7H8BClN2O2
Molecular Weight
198.420000
Exact Mass
198.036735
SMILES
B(C1=CC2=C(N1)N=CC=C2)(O)O.Cl
InChI
InChI=1S/C7H7BN2O2.ClH/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4,11-12H,(H,9,10);1H
InChIKey
NDJZTAFQFTUYGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.17
TPSA
69.14
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.3
XLogP3
-0.34
Consensus LogP
-0.33
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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