CAS RN: 1150271-62-7
5-(t-Butyldimethylsiloxy)-2,3-difluorophenylboronic
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.20250902 | 100mg / 250mg / 1g / 5g / 10g / 25g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1150271-62-7
- Purity/Analytical Methods: >99.0%
1150271-62-7 / tert-butyl-[3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
tert-Butyl(3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)dimethylsilane | 5-(t-Butyldimethylsilyloxy)-2,3-difluorophenylboronic acid, pinacol ester | MFCD11855981
Basic Information
CAS
1150271-62-7
Multi CAS
Yes
Molecular Formula
C18H29BF2O3Si
Molecular Weight
370.300000
Exact Mass
370.194708
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)F)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C18H29BF2O3Si/c1-16(2,3)25(8,9)22-12-10-13(15(21)14(20)11-12)19-23-17(4,5)18(6,7)24-19/h10-11H,1-9H3
InChIKey
SYSZKZKYIDNJBD-UHFFFAOYSA-N
Synonyms
tert-Butyl(3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)dimethylsilane
5-(t-Butyldimethylsilyloxy)-2,3-difluorophenylboronic acid, pinacol ester
MFCD11855981
5-(t-Butyldimethylsiloxy)-2,3-difluorophenylboronic acid, pinacol ester
tert-butyl-[3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
99.9
TPSA
27.69
LogP / Solubility
WLOGP
4.65
MLOGP
4.11
XLogP3
4.65
Consensus LogP
4.47
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
3-(Ethoxycarbonyl)-5-methylphenylboronic acid,pinacol ester
- CAS RN: 1150271-63-8
- Product Code: starshine_CAS1150271-63-8
- Purity/Analytical method: >99.0%
-
N-Ethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 1150271-70-7
- Product Code: starshine_CAS1150271-70-7
- Purity/Analytical method: >99.0%
-
4-Bromomethyl-3-fluorophenylboronic acid,pinacol
- CAS RN: 1150271-74-1
- Product Code: SSC-014744
-
2-Fluoro-4,5-dimethoxyphenylboronic acid,pinacol ester
- CAS RN: 1150271-76-3
- Product Code: starshine_CAS1150271-76-3
- Purity/Analytical method: >99.0%
-
tert-Butyl 4-cyano-4-(2-fluoro-4-methylphenyl)piperidine-1-carboxylate
- CAS RN: 1150315-87-9
- Product Code: starshine_CAS1150315-87-9
- Purity/Analytical method: >99.0%
-
