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CAS 911228-95-0 N,N-Diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide molecular structure lightbox
CAS RN: 911228-95-0

N,N-Diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS911228-95-0
  • Purity/Analytical Methods: >99.0%
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911228-95-0 / N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

Standard CAS: 911228-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
911228-95-0
Multi CAS
No
Molecular Formula
BC16H26NO4S
Molecular Weight
339.300000
Exact Mass
339.167560
InChI
InChI=1S/C16H26BNO4S/c1-7-18(8-2)23(19,20)14-11-9-13(10-12-14)17-21-15(3,4)16(5,6)22-17/h9-12H,7-8H2,1-6H3
InChIKey
CRSLAGARSMICFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
92.26
TPSA
55.84

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

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

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