CAS RN: 1354819-26-3
2-Hydroxy-5-(trifluoromethoxy)phenylboronic acid
- Product code: SSC-043867
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 | Shenzhen | Inquiry |
1354819-26-3 / [2-hydroxy-5-(trifluoromethoxy)phenyl]boronic acid
Basic Information
CAS
1354819-26-3
Multi CAS
No
Molecular Formula
C7H6BF3O4
Molecular Weight
221.930000
Exact Mass
222.031123
SMILES
B(C1=C(C=CC(=C1)OC(F)(F)F)O)(O)O
InChI
InChI=1S/C7H6BF3O4/c9-7(10,11)15-4-1-2-6(12)5(3-4)8(13)14/h1-3,12-14H
InChIKey
KZPLYVRPYPBPSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.62
TPSA
69.92
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.02
XLogP3
-0.03
Consensus LogP
-0.03
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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
Customers Also Viewed
-
![CAS 1354822-17-5 ethyl 6-hydroxy-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
ethyl 6-hydroxy-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
- CAS RN: 1354822-17-5
- Product Code: starshine_CAS1354822-17-5
- Purity/Analytical method: >99.0%
-
N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester
- CAS RN: 1354823-36-1
- Product Code: SSC-043869
-
WEHI-345
- CAS RN: 1354825-58-3
- Product Code: starshine_CAS1354825-58-3
- Purity/Analytical method: >99.0%
-
(3-Methyl-3-pyrrolidinyl)methanol oxalate salt
- CAS RN: 1354893-12-1
- Product Code: SSC-043892
-
-
![CAS 1354822-17-5 ethyl 6-hydroxy-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1354822-17-5.gif)
![CAS 1354823-36-1 N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1354823-36-1.gif)
