CAS RN: 1056904-42-7
N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methacrylamide
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.20251108 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1056904-42-7
- Purity/Analytical Methods: >99.0%
1056904-42-7 / 2-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide
N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methacrylamide | 2-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide | MFCD22494194
Basic Information
CAS
1056904-42-7
Multi CAS
No
Molecular Formula
C16H22BNO3
Molecular Weight
287.200000
Exact Mass
287.169274
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C(=C)C
InChI
InChI=1S/C16H22BNO3/c1-11(2)14(19)18-13-9-7-8-12(10-13)17-20-15(3,4)16(5,6)21-17/h7-10H,1H2,2-6H3,(H,18,19)
InChIKey
KPEHAEGSSOCCQZ-UHFFFAOYSA-N
Synonyms
N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methacrylamide
2-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide
MFCD22494194
starbld0011280
SCHEMBL15013490
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.6
TPSA
47.56
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
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
2.5
Customers Also Viewed
-
1-(1H-BENZIMIDAZOL-6-YL)Cyclopropanecarboxylic acid
- CAS RN: 1056933-69-7
- Product Code: SSC-007408
-
TERT-BUTYL 4-CHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE
- CAS RN: 1056934-87-2
- Product Code: SSC-007409
-
6-benzofuranmethanol
- CAS RN: 1056942-24-5
- Product Code: starshine_CAS1056942-24-5
- Purity/Analytical method: >99.0%
-
1-Bromo-4-chloro-2-(difluoromethoxy)benzene
- CAS RN: 1056942-37-0
- Product Code: SSC-007412
-
1-Azido-23-bromo-3,6,9,12,15,18,21-heptaoxatricosane
- CAS RN: 1056969-61-9
- Product Code: SSC-007413
-
![CAS 1056934-87-2 TERT-BUTYL 4-CHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4125422.gif)
