![CAS 25240-59-9 4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/25240-59-9.gif)
CAS RN: 25240-59-9
4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-OL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS25240-59-9
- Purity/Analytical Methods: >99.0%
25240-59-9 / 2-hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
25240-59-9
Multi CAS
No
Molecular Formula
C6H13BO3
Molecular Weight
143.980000
Exact Mass
144.095774
SMILES
B1(OC(C(O1)(C)C)(C)C)O
InChI
InChI=1S/C6H13BO3/c1-5(2)6(3,4)10-7(8)9-5/h8H,1-4H3
InChIKey
ZZPNDIHOQDQVNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.3
TPSA
38.69
LogP / Solubility
WLOGP
0.57
MLOGP
0.49
XLogP3
0.57
Consensus LogP
0.54
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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