![CAS 2304634-64-6 1H-Pyrrolo[2,3-b]pyridine, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304634-64-6.gif)
CAS RN: 2304634-64-6
1H-Pyrrolo[2,3-b]pyridine, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 250mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2304634-64-6
- Purity/Analytical Methods: >99.0%
2304634-64-6 / 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
2304634-64-6
Multi CAS
No
Molecular Formula
C14H19BN2O2
Molecular Weight
258.130000
Exact Mass
258.153958
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CNC3=NC=C2)C
InChI
InChI=1S/C14H19BN2O2/c1-9-8-17-12-11(9)10(6-7-16-12)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChIKey
VXIOLZPCDUGCKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.55
TPSA
47.14
LogP / Solubility
WLOGP
2.17
MLOGP
1.92
XLogP3
2.17
Consensus LogP
2.09
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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
Yes
Synthetic Accessibility
1.5
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![CAS 2304634-71-5 {1-[(tert-butoxy)carbonyl]-6-cyano-1H-indol-3-yl}boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB03121698.gif)
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