![CAS 945256-29-1 1H-Pyrrolo[2,3-b]pyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945256-29-1.gif)
CAS RN: 945256-29-1
1H-Pyrrolo[2,3-b]pyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-209582
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 1g, 0.1g, 0.25g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥98% | 1 In Stock | Shanghai | Inquiry |
945256-29-1 / 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
945256-29-1
Multi CAS
Yes
Molecular Formula
BC13H17N2O2
Molecular Weight
244.100000
Exact Mass
244.138308
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-16-11-9(10)6-5-7-15-11/h5-8H,1-4H3,(H,15,16)
InChIKey
UDWFQODVYQOMET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.81
TPSA
47.14
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
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
Customers Also Viewed
-
![CAS 945256-30-4 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-Methoxy-1-[(4-Methylphenyl)sulfonyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-Methoxy-1-[(4-Methylphenyl)sulfonyl]-
- CAS RN: 945256-30-4
- Product Code: SSC-209583
-
4-Hydroxy-2-Methoxyphenol 1-O-(6-O-syringoyl)glucoside
- CAS RN: 945259-61-0
- Product Code: starshine_CAS945259-61-0
- Purity/Analytical method: >99.0%
-
Sitagliptin EP Impurity C
- CAS RN: 945261-48-3
- Product Code: starshine_CAS945261-48-3
- Purity/Analytical method: >99.0%
-
-
3-CYCLOPROPYL-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
- CAS RN: 945262-32-8
- Product Code: SSC-209587
-
![CAS 945256-30-4 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-Methoxy-1-[(4-Methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945256-30-4.gif)
![CAS 945262-32-8 3-CYCLOPROPYL-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945262-32-8.gif)
