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CAS 329939-43-7 4-Bromo-N-(4-methoxybenzyl)benzenesulfonamide molecular structure lightbox
CAS RN: 329939-43-7

4-Bromo-N-(4-methoxybenzyl)benzenesulfonamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS329939-43-7
  • Purity/Analytical Methods: >99.0%
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329939-43-7 / 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

Standard CAS: 329939-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
329939-43-7
Multi CAS
No
Molecular Formula
BC14H14O3RnS
Molecular Weight
356.240000
Exact Mass
354.987780
InChI
InChI=1S/C14H14BrNO3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-9,16H,10H2,1H3
InChIKey
HKTIXZGUJGCYDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.16
TPSA
55.4

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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