![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)
CAS RN: 2304634-71-5
{1-[(tert-butoxy)carbonyl]-6-cyano-1H-indol-3-yl}boronic acid
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.20260419 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-111919
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 |
2304634-71-5 / [6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]boronic acid
Basic Information
CAS
2304634-71-5
Multi CAS
No
Molecular Formula
C14H15BN2O4
Molecular Weight
286.090000
Exact Mass
286.112487
SMILES
B(C1=CN(C2=C1C=CC(=C2)C#N)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C14H15BN2O4/c1-14(2,3)21-13(18)17-8-11(15(19)20)10-5-4-9(7-16)6-12(10)17/h4-6,8,19-20H,1-3H3
InChIKey
FJEQIVPJRILZHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
78.11
TPSA
95.48
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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