CAS RN: 631911-09-6
3-Methyl-4-(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.20250921 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS631911-09-6
- Purity/Analytical Methods: >99.0%
631911-09-6 / 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Basic Information
CAS
631911-09-6
Multi CAS
No
Molecular Formula
BC14H20NO3
Molecular Weight
261.130000
Exact Mass
261.153624
InChI
InChI=1S/C14H20BNO3/c1-9-8-10(12(16)17)6-7-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H2,16,17)
InChIKey
APCPHCRRFATAOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.41
TPSA
61.55
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-ethyl-1-propyl-8-(1-((6-(trifluoroMethyl)pyridin-3-yl)Methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
- CAS RN: 631914-03-9
- Product Code: SSC-172775
-
Carbamic acid, [(1S)-2-chloro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
- CAS RN: 631914-55-1
- Product Code: SSC-172776
-
-
4-(1′,5′-Dihydro-1′-methyl-2’H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2′-yl)benzoic acid
- CAS RN: 631918-72-4
- Product Code: SSC-172778
-
5-NITRO-1H-INDAZOLE-7-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 632291-85-1
- Product Code: starshine_CAS632291-85-1
- Purity/Analytical method: >99.0%
![CAS 631914-55-1 Carbamic acid, [(1S)-2-chloro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/631914-55-1.gif)
![CAS 631918-72-4 4-(1′,5′-Dihydro-1′-methyl-2’H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2′-yl)benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/631918-72-4.gif)
