![CAS 2304635-41-2 1,3,2-Dioxaborolane, 2-[3-(difluoromethyl)-5-methoxyphenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304635-41-2.gif)
CAS RN: 2304635-41-2
1,3,2-Dioxaborolane, 2-[3-(difluoromethyl)-5-methoxyphenyl]-4,4,5,5-tetramethyl-
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: starshine_CAS2304635-41-2
- Purity/Analytical Methods: >99.0%
2304635-41-2 / 2-[3-(difluoromethyl)-5-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2304635-41-2
Multi CAS
No
Molecular Formula
C14H19BF2O3
Molecular Weight
284.110000
Exact Mass
284.139531
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)C(F)F
InChI
InChI=1S/C14H19BF2O3/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(16)17)7-11(8-10)18-5/h6-8,12H,1-5H3
InChIKey
UAVPBGRBTOOFJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
73.67
TPSA
27.69
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-2.37
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
1.5
Customers Also Viewed
-
1-(p-Methoxyphenylsulfonyl)-7-azaindole-3-boronic Acid Pinacol Ester
- CAS RN: 2304635-47-8
- Product Code: SSC-111938
-
1-Azetidinecarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
- CAS RN: 2304635-53-6
- Product Code: SSC-111940
-
1-(2-Methoxy-1,1-dimethyl-ethyl)pyrazole-4-boronic acid pinacol ester
- CAS RN: 2304635-54-7
- Product Code: SSC-111941
-
{1H‐pyrrolo[2,3‐b]pyridin‐2‐yl}boronic acid hydrochloride
- CAS RN: 2304635-61-6
- Product Code: starshine_CAS2304635-61-6
- Purity/Analytical method: >99.0%
-
-
FLT3-IN-4
- CAS RN: 2304799-09-3
- Product Code: starshine_CAS2304799-09-3
- Purity/Analytical method: >99.0%
![CAS 2304635-61-6 {1H‐pyrrolo[2,3‐b]pyridin‐2‐yl}boronic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304635-61-6.gif)
