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CAS 2905-26-2 3-TERT-BUTYL BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 2905-26-2

3-TERT-BUTYL BENZENESULFONYL CHLORIDE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 100mg In stock Shanghai Inquiry
Batchno.20250610 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250917 1g In stock Shanghai Inquiry
Batchno.20250409 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250429 5g In stock Shanghai Inquiry
  • Product code: SSC-131252
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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: ＞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 2905-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2905-26-2 / 3-tert-butylbenzenesulfonyl chloride

Standard CAS: 2905-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2905-26-2
Multi CAS
No
Molecular Formula
C10H13CLO2S
Molecular Weight
232.730000
Exact Mass
232.032479
InChI
InChI=1S/C10H13ClO2S/c1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-7H,1-3H3
InChIKey
WZQSQOIYTVCFMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.18
TPSA
34.14

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
3.6
Consensus LogP
3.03
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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