![CAS 330792-76-2 “2-Phenoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330792-76-2.gif)
CAS RN: 330792-76-2
“2-Phenoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine”
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS330792-76-2
- Purity/Analytical Methods: >99.0%
330792-76-2 / 2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
330792-76-2
Multi CAS
No
Molecular Formula
BC17H20NO3
Molecular Weight
297.200000
Exact Mass
297.153624
InChI
InChI=1S/C17H20BNO3/c1-16(2)17(3,4)22-18(21-16)13-10-11-15(19-12-13)20-14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKey
GMABRSOCDYXLIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.47
TPSA
40.58
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.17
Consensus LogP
3.05
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-2.28
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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