CAS RN: 480425-29-4
RARECHEM AL BA 0112
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS480425-29-4
- Purity/Analytical Methods: >99.0%
480425-29-4 / [(E)-2-(4-butylphenyl)ethenyl]boronic acid
Basic Information
CAS
480425-29-4
Multi CAS
Yes
Molecular Formula
BC12H17O2
Molecular Weight
204.080000
Exact Mass
204.132160
InChI
InChI=1S/C12H17BO2/c1-2-3-4-11-5-7-12(8-6-11)9-10-13(14)15/h5-10,14-15H,2-4H2,1H3/b10-9+
InChIKey
AJCKKPVFZKJQTH-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.28
TPSA
40.46
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.51
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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- Product Code: starshine_CAS480425-31-8
- Purity/Analytical method: >99.0%
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