CAS RN: 1218791-07-1
5-Formylfuran-2-boronic acid, neopentyl glycol ester
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.20250907 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1218791-07-1
- Purity/Analytical Methods: >99.0%
1218791-07-1 / 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)furan-2-carbaldehyde
Basic Information
CAS
1218791-07-1
Multi CAS
No
Molecular Formula
C10H13BO4
Molecular Weight
208.020000
Exact Mass
208.090689
SMILES
B1(OCC(CO1)(C)C)C2=CC=C(O2)C=O
InChI
InChI=1S/C10H13BO4/c1-10(2)6-13-11(14-7-10)9-4-3-8(5-12)15-9/h3-5H,6-7H2,1-2H3
InChIKey
XIUIKLVGTQAWHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.17
TPSA
48.67
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
0.86
Consensus LogP
0.83
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.38
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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