CAS RN: 150145-25-8
2,4-DIPROPOXYPHENYLBORONIC ACID
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-060107
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
150145-25-8 / (2,4-dipropoxyphenyl)boronic acid
Basic Information
CAS
150145-25-8
Multi CAS
No
Molecular Formula
C12H19BO4
Molecular Weight
238.090000
Exact Mass
238.137639
SMILES
B(C1=C(C=C(C=C1)OCCC)OCCC)(O)O
InChI
InChI=1S/C12H19BO4/c1-3-7-16-10-5-6-11(13(14)15)12(9-10)17-8-4-2/h5-6,9,14-15H,3-4,7-8H2,1-2H3
InChIKey
ZNGNDOSZRKWKJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67.84
TPSA
58.92
LogP / Solubility
WLOGP
0.94
MLOGP
0.84
XLogP3
0.94
Consensus LogP
0.91
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-3.5
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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