CAS RN: 86308-26-1
HEXYLBORONIC ACID PINACOL ESTER
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-195240
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
86308-26-1 / 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
86308-26-1
Multi CAS
No
Molecular Formula
BC12H25O2
Molecular Weight
212.140000
Exact Mass
212.194760
InChI
InChI=1S/C12H25BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-10H2,1-5H3
InChIKey
LDPMCSWZEGKWLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
65.03
TPSA
18.46
LogP / Solubility
WLOGP
3.66
MLOGP
3.22
XLogP3
3.66
Consensus LogP
3.51
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.68
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)
-1.42
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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