CAS RN: 170942-79-7
TRANS-4,4,5,5-TETRAMETHYL-2-OCT-1-ENYL-1,3,2-DIOXABOROLANE
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260607 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-075308
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 |
170942-79-7 / 4,4,5,5-tetramethyl-2-[(E)-oct-1-enyl]-1,3,2-dioxaborolane
Basic Information
CAS
170942-79-7
Multi CAS
No
Molecular Formula
C14H27BO2
Molecular Weight
238.180000
Exact Mass
238.210410
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCCCCC
InChI
InChI=1S/C14H27BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3/b12-11+
InChIKey
KQTOSGTXAFJZSJ-VAWYXSNFSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
73.98
TPSA
18.46
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
4.14
Consensus LogP
3.98
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-1.23
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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