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CAS 1016509-13-9 alpha-(3-Methylsulfonylphenyl)benzylaMine molecular structure lightbox
CAS RN: 1016509-13-9

alpha-(3-Methylsulfonylphenyl)benzylaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-002478
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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: 0.25g, 1g, 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 1016509-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1016509-13-9 / (3-methylsulfonylphenyl)-phenylmethanamine

alpha-(3-Methylsulfonylphenyl)benzylamine | (3-(Methylsulfonyl)phenyl)(phenyl)methanamine | (3-methanesulfonylphenyl)(phenyl)methanamine

Standard CAS: 1016509-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1016509-13-9
Multi CAS
Yes
Molecular Formula
C14H15NO2S
Molecular Weight
261.340000
Exact Mass
261.082350
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C(C2=CC=CC=C2)N
InChI
InChI=1S/C14H15NO2S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10,14H,15H2,1H3
InChIKey
KTCYDOZUYHQARX-UHFFFAOYSA-N
Synonyms
alpha-(3-Methylsulfonylphenyl)benzylamine (3-(Methylsulfonyl)phenyl)(phenyl)methanamine (3-methanesulfonylphenyl)(phenyl)methanamine (3-methylsulfonylphenyl)-phenylmethanamine MFCD09817373

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.02
TPSA
60.16

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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