CAS RN: 765916-91-4
2-Cyano-3-fluorophenylboronic acid pinacol ester
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-185998
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
765916-91-4 / 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Basic Information
CAS
765916-91-4
Multi CAS
Yes
Molecular Formula
BC13FH15NO2
Molecular Weight
247.070000
Exact Mass
247.117987
InChI
InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(15)9(10)8-16/h5-7H,1-4H3
InChIKey
TXGKJULMHJEZTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.83
TPSA
42.25
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
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)
-2.81
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
Customers Also Viewed
-
-
4-chloro-2-fluorophenylboronic aicd, pinacol ester
- CAS RN: 765917-27-9
- Product Code: SSC-186000
-
3′-N,N-Di(desMethyl)-3′-N-forMyl AzithroMycin
- CAS RN: 765927-71-7
- Product Code: starshine_CAS765927-71-7
- Purity/Analytical method: >99.0%
-
2,3-DIHYDRO-1H-ISOINDOL-1-ONE-4-BORONIC ACID PINACOL ESTER
- CAS RN: 765948-78-5
- Product Code: SSC-186003
-
-
Carbamic acid, [2-[(2-methoxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 765962-01-4
- Product Code: SSC-186007
![CAS 765962-01-4 Carbamic acid, [2-[(2-methoxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/765962-01-4.gif)