CAS RN: 2304633-94-9
tert-Butyl 6-benzyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-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.20251023 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-111905
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2304633-94-9 / tert-butyl 6-phenylmethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
Basic Information
CAS
2304633-94-9
Multi CAS
No
Molecular Formula
C26H32BNO5
Molecular Weight
449.300000
Exact Mass
449.237353
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C
InChI
InChI=1S/C26H32BNO5/c1-24(2,3)31-23(29)28-16-21(27-32-25(4,5)26(6,7)33-27)20-14-13-19(15-22(20)28)30-17-18-11-9-8-10-12-18/h8-16H,17H2,1-7H3
InChIKey
SSWVYKHCASQYMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
130.06
TPSA
58.92
LogP / Solubility
WLOGP
5.3
MLOGP
4.7
XLogP3
5.3
Consensus LogP
5.1
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
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
3
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