CAS RN: 2096332-96-4
2-Fluoro-5-(methoxymethoxy)phenylboronic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS2096332-96-4
- Purity/Analytical Methods: >99.0%
2096332-96-4 / [2-fluoro-5-(methoxymethoxy)phenyl]boronic acid
Basic Information
CAS
2096332-96-4
Multi CAS
No
Molecular Formula
C8H10BFO4
Molecular Weight
199.970000
Exact Mass
200.065617
SMILES
B(C1=C(C=CC(=C1)OCOC)F)(O)O
InChI
InChI=1S/C8H10BFO4/c1-13-5-14-6-2-3-8(10)7(4-6)9(11)12/h2-4,11-12H,5H2,1H3
InChIKey
GMMNEHAUEUPEKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.73
TPSA
58.92
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.51
Consensus LogP
-0.49
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-4.3
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
Customers Also Viewed
-
2-Hydroxy-6-trifluoromethylphenylboronic acid
- CAS RN: 2096333-79-6
- Product Code: SSC-099419
-
2-[2-(Bromomethyl)-5-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 2096333-96-7
- Product Code: starshine_CAS2096333-96-7
- Purity/Analytical method: >99.0%
-
3-Nitro-4-(trifluoromethoxy)phenylboronic acid
- CAS RN: 2096333-99-0
- Product Code: starshine_CAS2096333-99-0
- Purity/Analytical method: >99.0%
-
3-Chloro-4-ethoxy-5-fluorophenylboronic acid
- CAS RN: 2096334-30-2
- Product Code: starshine_CAS2096334-30-2
- Purity/Analytical method: >99.0%
-
N-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclohexanamine
- CAS RN: 2096334-42-6
- Product Code: starshine_CAS2096334-42-6
- Purity/Analytical method: >99.0%
-
3-(2,5-Dimethylphenylcarbamoyl)-4-fluorobenzeneboronic acid（WS204565）
- CAS RN: 2096334-75-5
- Product Code: starshine_CAS2096334-75-5
- Purity/Analytical method: >99.0%
![CAS 2096333-96-7 2-[2-(Bromomethyl)-5-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2096333-96-7.png)
