CAS RN: 157945-82-9
2-(2-CYCLOPENTYLVINYL)-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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260620 | 100mg / 1g / 5g | Confirm by inquiry | Shanghai, Guangdong | 5-7 business days | Inquiry |
- Product code: SSC-066621
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 | Hong Kong | Inquiry |
157945-82-9 / 2-[(E)-2-cyclopentylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
157945-82-9
Multi CAS
No
Molecular Formula
C13H23BO2
Molecular Weight
222.130000
Exact Mass
222.179110
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CCCC2
InChI
InChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)10-9-11-7-5-6-8-11/h9-11H,5-8H2,1-4H3/b10-9+
InChIKey
ZRQHPPDBSWSGFA-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.18
TPSA
18.46
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
3.36
Consensus LogP
3.23
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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