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CAS 850429-52-6 4-BROMO-N-[2-(TBDMSO)ETHYL]BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 850429-52-6

4-BROMO-N-[2-(TBDMSO)ETHYL]BENZENESULFONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 1g / 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS850429-52-6
  • Purity/Analytical Methods: >99.0%
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850429-52-6 / 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzenesulfonamide

Standard CAS: 850429-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850429-52-6
Multi CAS
No
Molecular Formula
BC14H24O3RnSSi
Molecular Weight
394.400000
Exact Mass
393.042950
InChI
InChI=1S/C14H24BrNO3SSi/c1-14(2,3)21(4,5)19-11-10-16-20(17,18)13-8-6-12(15)7-9-13/h6-9,16H,10-11H2,1-5H3
InChIKey
MDGPCUSYXKGALX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.48
TPSA
55.4

LogP / Solubility

WLOGP
3.75
MLOGP
3.32
XLogP3
3.75
Consensus LogP
3.61
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46

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

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