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CAS 553652-34-9 N-(2-broMophenyl)-N-Methyl-MethanesulfonaMide molecular structure lightbox
CAS RN: 553652-34-9

N-(2-broMophenyl)-N-Methyl-MethanesulfonaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-163251
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 553652-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

553652-34-9 / N-(2-bromophenyl)-N-methylmethanesulfonamide

Standard CAS: 553652-34-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
553652-34-9
Multi CAS
No
Molecular Formula
BC8H10O2RnS
Molecular Weight
264.140000
Exact Mass
262.961560
InChI
InChI=1S/C8H10BrNO2S/c1-10(13(2,11)12)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKey
ANEOQJILAXCBEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.39
TPSA
37.38

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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