CAS RN: 1122568-09-5
2-(2-Methoxyethoxy)phenylboronic acid
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.20251004 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-012717
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1122568-09-5 / [2-(2-methoxyethoxy)phenyl]boronic acid
(2-(2-Methoxyethoxy)phenyl)boronic acid | [2-(2-methoxyethoxy)phenyl]boronic acid | DTXSID90595571
Basic Information
CAS
1122568-09-5
Multi CAS
No
Molecular Formula
C9H13BO4
Molecular Weight
196.010000
Exact Mass
196.090689
SMILES
B(C1=CC=CC=C1OCCOC)(O)O
InChI
InChI=1S/C9H13BO4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5,11-12H,6-7H2,1H3
InChIKey
FVUUWXVSSBFFPS-UHFFFAOYSA-N
Synonyms
(2-(2-Methoxyethoxy)phenyl)boronic acid
[2-(2-methoxyethoxy)phenyl]boronic acid
DTXSID90595571
RefChem:550962
DTXCID20546334
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.64
TPSA
58.92
LogP / Solubility
WLOGP
-0.61
MLOGP
-0.54
XLogP3
-0.61
Consensus LogP
-0.59
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.35
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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