![CAS 1073338-93-8 TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1073338-93-8.gif)
CAS RN: 1073338-93-8
TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
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.20260226 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-008878
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1073338-93-8 / tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE | MFCD12407271 | tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
Basic Information
CAS
1073338-93-8
Multi CAS
No
Molecular Formula
C18H24BFN2O4
Molecular Weight
362.200000
Exact Mass
362.181316
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=N3)F)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H24BFN2O4/c1-16(2,3)24-15(23)22-10-13(12-8-11(20)9-21-14(12)22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChIKey
APWKMCGPZCOCEQ-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
MFCD12407271
tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
(1-(tert-Butoxycarbonyl)-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid pinacol ester
C18H24BFN2O4
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
97.04
TPSA
62.58
LogP / Solubility
WLOGP
3.26
MLOGP
2.89
XLogP3
3.26
Consensus LogP
3.14
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1073338-94-9 tert-butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1073338-94-9.gif)
![CAS 1073339-10-2 2-(Benzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1073339-10-2.gif)
