![CAS 2096997-27-0 2-[4-(Benzyloxy)-1-naphthyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2096997-27-0.png)
CAS RN: 2096997-27-0
2-[4-(Benzyloxy)-1-naphthyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250628 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2096997-27-0
- Purity/Analytical Methods: >99.0%
2096997-27-0 / 4,4,5,5-tetramethyl-2-(4-phenylmethoxynaphthalen-1-yl)-1,3,2-dioxaborolane
Basic Information
CAS
2096997-27-0
Multi CAS
No
Molecular Formula
C23H25BO3
Molecular Weight
360.300000
Exact Mass
360.189675
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=CC=CC=C23)OCC4=CC=CC=C4
InChI
InChI=1S/C23H25BO3/c1-22(2)23(3,4)27-24(26-22)20-14-15-21(19-13-9-8-12-18(19)20)25-16-17-10-6-5-7-11-17/h5-15H,16H2,1-4H3
InChIKey
BKBHQKNQVGZWLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
110.44
TPSA
27.69
LogP / Solubility
WLOGP
4.72
MLOGP
4.17
XLogP3
4.72
Consensus LogP
4.54
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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