[email protected]
CAS 397843-98-0 N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide molecular structure lightbox
CAS RN: 397843-98-0

N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS397843-98-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

397843-98-0 / N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide

Standard CAS: 397843-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
397843-98-0
Multi CAS
No
Molecular Formula
BC19H22NO3
Molecular Weight
323.200000
Exact Mass
323.169274
InChI
InChI=1S/C19H22BNO3/c1-18(2)19(3,4)24-20(23-18)15-12-8-9-13-16(15)21-17(22)14-10-6-5-7-11-14/h5-13H,1-4H3,(H,21,22)
InChIKey
UVLUJBXHSJJLQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.55
TPSA
47.56

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3.24
Consensus LogP
3.11
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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
No
Log Kp (skin permeation)
-2.39

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

Get In Touch

Contact Us