CAS RN: 1892603-13-2
(E)-2-(4-(tert-butyl)styryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-088364
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 | Shanghai | Inquiry |
1892603-13-2 / 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1892603-13-2
Multi CAS
No
Molecular Formula
C18H27BO2
Molecular Weight
286.200000
Exact Mass
286.210410
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C18H27BO2/c1-16(2,3)15-10-8-14(9-11-15)12-13-19-20-17(4,5)18(6,7)21-19/h8-13H,1-7H3/b13-12+
InChIKey
YFRZHSQPVQZMJR-OUKQBFOZSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
90.26
TPSA
18.46
LogP / Solubility
WLOGP
4.63
MLOGP
4.08
XLogP3
4.63
Consensus LogP
4.45
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly 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)
-1.18
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
