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CAS 3112-88-7 Benzyl Phenyl Sulfone molecular structure lightbox
CAS RN: 3112-88-7

Benzyl Phenyl Sulfone

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250101 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260131 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250704 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-136374
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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: 100g
  • Available purity: ≥97%
  • 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 3112-88-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

3112-88-7 / benzenesulfonylmethylbenzene

Standard CAS: 3112-88-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3112-88-7
Multi CAS
No
Molecular Formula
C13H12O2S
Molecular Weight
232.300000
Exact Mass
232.055801
InChI
InChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
FABCMLOTUSCWOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.77
TPSA
34.14

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2
Consensus LogP
2.34
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

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

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