CAS RN: 2222867-16-3
2,2′-Cyclopropylidenebis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
- Product code: SSC-106915
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 | Shenzhen | Inquiry |
2222867-16-3 / 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-1,3,2-dioxaborolane
Basic Information
CAS
2222867-16-3
Multi CAS
No
Molecular Formula
C15H28B2O4
Molecular Weight
294.000000
Exact Mass
294.217370
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC2)B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C15H28B2O4/c1-11(2)12(3,4)19-16(18-11)15(9-10-15)17-20-13(5,6)14(7,8)21-17/h9-10H2,1-8H3
InChIKey
OUHIEGPVHJOPPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
84.09
TPSA
36.92
LogP / Solubility
WLOGP
3.24
MLOGP
2.87
XLogP3
3.24
Consensus LogP
3.12
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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