![CAS 2096335-62-3 [3-Chloro-5-(2-methoxyethoxy)phenyl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2096335-62-3.png)
CAS RN: 2096335-62-3
[3-Chloro-5-(2-methoxyethoxy)phenyl]boronic 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.20250306 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2096335-62-3
- Purity/Analytical Methods: >99.0%
2096335-62-3 / [3-chloro-5-(2-methoxyethoxy)phenyl]boronic acid
Basic Information
CAS
2096335-62-3
Multi CAS
No
Molecular Formula
C9H12BClO4
Molecular Weight
230.450000
Exact Mass
230.051717
SMILES
B(C1=CC(=CC(=C1)Cl)OCCOC)(O)O
InChI
InChI=1S/C9H12BClO4/c1-14-2-3-15-9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,2-3H2,1H3
InChIKey
OCOJVOYCEWLSKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.65
TPSA
58.92
LogP / Solubility
WLOGP
0.04
MLOGP
0.04
XLogP3
0.04
Consensus LogP
0.04
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-4.09
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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![CAS 2096337-75-4 2-[4-Bromo-2-fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2096337-75-4.png)
