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CAS 2688-90-6 2-PHENYLBENZENESULPHONYL CHLORIDE molecular structure lightbox
CAS RN: 2688-90-6

2-PHENYLBENZENESULPHONYL CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-125255
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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: 1g
  • 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 2688-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2688-90-6 / 2-phenylbenzenesulfonyl chloride

Standard CAS: 2688-90-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2688-90-6
Multi CAS
No
Molecular Formula
C12H9ClO2S
Molecular Weight
252.720000
Exact Mass
252.001178
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClO2S/c13-16(14,15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
RENKNADFNRIRNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.92
TPSA
34.14

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.6
Consensus LogP
3.26
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.93

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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