.gif)
CAS RN: 1467061-57-9
2-(4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)-1,1,1-trifluoropropan-2-ol
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.20260202 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1467061-57-9
- Purity/Analytical Methods: >99.0%
1467061-57-9 / 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol
Basic Information
CAS
1467061-57-9
Multi CAS
No
Molecular Formula
C14H18BF3O3
Molecular Weight
302.100000
Exact Mass
302.130109
SMILES
B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C(C)(C(F)(F)F)O
InChI
InChI=1S/C14H18BF3O3/c1-12(2)8-20-15(21-9-12)11-6-4-10(5-7-11)13(3,19)14(16,17)18/h4-7,19H,8-9H2,1-3H3
InChIKey
JULSAKQYNOLJLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.14
TPSA
38.69
LogP / Solubility
WLOGP
2.22
MLOGP
1.97
XLogP3
2.22
Consensus LogP
2.14
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
.gif)
5-Bromo-6-methoxy-N,N-dimethylpyridin-2-amine
- CAS RN: 1467061-96-6
- Product Code: starshine_CAS1467061-96-6
- Purity/Analytical method: >99.0%
-
.gif)
5-bromo-6-chloro-1H-Indazole-3-carboxylic acid
- CAS RN: 1467062-18-5
- Product Code: SSC-057675
-
methyl 5-bromo-6-chloro-1H-indazole-3-carboxylate
- CAS RN: 1467062-19-6
- Product Code: starshine_CAS1467062-19-6
- Purity/Analytical method: >99.0%
-
Hybridaphniphylline A
- CAS RN: 1467083-07-3
- Product Code: starshine_CAS1467083-07-3
- Purity/Analytical method: >99.0%
-
Hybridaphniphylline B
- CAS RN: 1467083-09-5
- Product Code: starshine_CAS1467083-09-5
- Purity/Analytical method: >99.0%
-
Daphnicyclidin I
- CAS RN: 1467083-10-8
- Product Code: starshine_CAS1467083-10-8
- Purity/Analytical method: >99.0%