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CAS 16212-06-9 Phenyl trans-Styryl Sulfone molecular structure lightbox
CAS RN: 16212-06-9

Phenyl trans-Styryl Sulfone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 1g In stock Guangdong, Chongqing Inquiry
Batchno.20250819 25g In stock Shandong Inquiry
Batchno.20250226 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-069653
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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: 25g
  • Available purity: ≥98%
  • 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 16212-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

16212-06-9 / [(E)-2-(benzenesulfonyl)ethenyl]benzene

Standard CAS: 16212-06-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16212-06-9
Multi CAS
No
Molecular Formula
C14H12O2S
Molecular Weight
244.310000
Exact Mass
244.055801
SMILES
C1=CC=C(C=C1)/C=C/S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey
DNMCCXFLTURVLK-VAWYXSNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
69.1
TPSA
34.14

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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