CAS RN: 2479315-52-9
4,4,5,5-Tetramethyl-2-(1-methylnaphthalen-2-yl)-1,3,2-dioxaborolane
- Product code: SSC-119891
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 | Shanghai | Inquiry |
2479315-52-9 / 4,4,5,5-tetramethyl-2-(1-methylnaphthalen-2-yl)-1,3,2-dioxaborolane
Basic Information
CAS
2479315-52-9
Multi CAS
No
Molecular Formula
C17H21BO2
Molecular Weight
268.200000
Exact Mass
268.163460
InChI
InChI=1S/C17H21BO2/c1-12-14-9-7-6-8-13(14)10-11-15(12)18-19-16(2,3)17(4,5)20-18/h6-11H,1-5H3
InChIKey
RYURBVHXPGKVJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
84.4
TPSA
18.46
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.45
Consensus LogP
3.31
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
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
1.5
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![CAS 2484739-25-3 5H-Pyrazolo[4,3-c]pyridine-5-carboxamide, 3-[7-(difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1-[1-[15-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]amino]-1-oxo-4,7,10,13-tetraoxapentadec-1-yl]-4-piperidinyl]-1,4,6,7-tetrahydro-N-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2484739-25-3.gif)
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