![CAS 302577-73-7 Ethyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) propionate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/302577-73-7.gif)
CAS RN: 302577-73-7
Ethyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) propionate
- Product code: SSC-134087
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 |
302577-73-7 / ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Basic Information
CAS
302577-73-7
Multi CAS
No
Molecular Formula
BC11H21O4
Molecular Weight
228.100000
Exact Mass
228.153289
InChI
InChI=1S/C11H21BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h6-8H2,1-5H3
InChIKey
OSBBNOTZLRIDPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
62.14
TPSA
44.76
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.67
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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