![CAS 889865-38-7 4,4,5,5-Tetramethyl-2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3468-jpgcontextbwfzdgvyfhjvb3r8mzm0nzv8aw1hz2uvanblz3xoy2mvadlhlzg5mzi3mta4mdk2mzavvdm0njguanbnfdhiotljngm3nwq0nzmwnjbkyju2y2i4mmy3n2uyodazy2i1nwu3nmq4zdk4nwuwmdk2nje1m2nhztaxzjm1zdc.jpeg)
CAS RN: 889865-38-7
4,4,5,5-Tetramethyl-2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-1,3,2-dioxaborolane
- Product code: SSC-200706
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 | Shenzhen | Inquiry |
889865-38-7 / 4,4,5,5-tetramethyl-2-[4-(oxan-2-yloxy)phenyl]-1,3,2-dioxaborolane
Basic Information
CAS
889865-38-7
Multi CAS
No
Molecular Formula
BC17H25O4
Molecular Weight
304.200000
Exact Mass
304.184589
InChI
InChI=1S/C17H25BO4/c1-16(2)17(3,4)22-18(21-16)13-8-10-14(11-9-13)20-15-7-5-6-12-19-15/h8-11,15H,5-7,12H2,1-4H3
InChIKey
ZIKLUMIQYINQLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.38
TPSA
36.92
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
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
3
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