CAS RN: 1019918-76-3
N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1019918-76-3
- Purity/Analytical Methods: >99.0%
1019918-76-3 / N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide | MFCD18730378 | SCHEMBL4786480
Basic Information
CAS
1019918-76-3
Multi CAS
No
Molecular Formula
C15H22BNO3
Molecular Weight
275.150000
Exact Mass
275.169274
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)NC)C
InChI
InChI=1S/C15H22BNO3/c1-10-7-8-11(13(18)17-6)9-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3,(H,17,18)
InChIKey
XLMMUGOPDZYMKD-UHFFFAOYSA-N
Synonyms
N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
MFCD18730378
SCHEMBL4786480
XLMMUGOPDZYMKD-UHFFFAOYSA-N
DTXSID901156875
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.29
TPSA
47.56
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
1.65
Consensus LogP
1.59
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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)
-3.22
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
-
-
IMidazo[1,2-a]pyridine-3-MethanaMine, 6-fluoro-
- CAS RN: 1020033-25-3
- Product Code: SSC-003211
-
C-(7-Methyl-[1,2,4]Triazolo[4,3-A]Pyridin-3-Yl)-Methylamine
- CAS RN: 1020033-70-8
- Product Code: SSC-003212
-
2-Aminomethyl-imidazo[1,2-a]pyridine-6-carbonitrile
- CAS RN: 1020034-14-3
- Product Code: SSC-003214
-
7-Methylimidazo[1,2-A]Pyrimidine-3-Carboxylic Acid(WX614239)
- CAS RN: 1020034-40-5
- Product Code: SSC-003215
-
7-Chloro-iMidazo[1,2-a]pyridine-2-carbaldehyde
- CAS RN: 1020034-59-6
- Product Code: SSC-003217
![CAS 1020033-25-3 IMidazo[1,2-a]pyridine-3-MethanaMine, 6-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1020033-25-3.gif)
![CAS 1020033-70-8 C-(7-Methyl-[1,2,4]Triazolo[4,3-A]Pyridin-3-Yl)-Methylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1020033-70-8.gif)
![CAS 1020034-14-3 2-Aminomethyl-imidazo[1,2-a]pyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1020034-14-3.gif)
![CAS 1020034-40-5 7-Methylimidazo[1,2-A]Pyrimidine-3-Carboxylic Acid(WX614239) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1020034-40-5.gif)
![CAS 1020034-59-6 7-Chloro-iMidazo[1,2-a]pyridine-2-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1020034-59-6.gif)