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CAS 89102-54-5 4-(BROMOACETYL)-N,N-DIMETHYLBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 89102-54-5

4-(BROMOACETYL)-N,N-DIMETHYLBENZENESULFONAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89102-54-5
  • Purity/Analytical Methods: >99.0%
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89102-54-5 / 4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide

Standard CAS: 89102-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89102-54-5
Multi CAS
No
Molecular Formula
BC10H12O3RnS
Molecular Weight
306.180000
Exact Mass
304.972130
InChI
InChI=1S/C10H12BrNO3S/c1-12(2)16(14,15)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
InChIKey
GPRFNTIBFADUHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
65.44
TPSA
54.45

LogP / Solubility

WLOGP
1.51
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.45
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-3.51

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

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