CAS RN: 1211366-28-7
Pinacol 3-methoxy-4 – (benzoylamino) phenylboronic acid
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.20250205 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP905129
1211366-28-7 / N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide | N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide | MFCD22494660
Basic Information
CAS
1211366-28-7
Multi CAS
No
Molecular Formula
C20H24BNO4
Molecular Weight
353.200000
Exact Mass
353.179838
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)15-11-12-16(17(13-15)24-5)22-18(23)14-9-7-6-8-10-14/h6-13H,1-5H3,(H,22,23)
InChIKey
GSBINHXLGSDZMC-UHFFFAOYSA-N
Synonyms
N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
MFCD22494660
AKOS037647338
AS-73339
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.11
TPSA
56.79
LogP / Solubility
WLOGP
3.25
MLOGP
2.88
XLogP3
3.25
Consensus LogP
3.13
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57
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
