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CAS 854207-66-2 alpha-(4-Methylsulfonylphenyl)benzylaMine molecular structure lightbox
CAS RN: 854207-66-2

alpha-(4-Methylsulfonylphenyl)benzylaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250620 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-193790
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 854207-66-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Beijing Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry

854207-66-2 / N-benzyl-4-methylsulfonylaniline

Standard CAS: 854207-66-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854207-66-2
Multi CAS
Yes
Molecular Formula
C14H15NO2S
Molecular Weight
261.340000
Exact Mass
261.082350
InChI
InChI=1S/C14H15NO2S/c1-18(16,17)14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKey
MZGLTQIPNMSHDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.32
TPSA
46.17

LogP / Solubility

WLOGP
2.7
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.5
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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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