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CAS 22308-12-9 1,3-Bis(tosyloxy)-2,2-dimethylpropane molecular structure lightbox
CAS RN: 22308-12-9

1,3-Bis(tosyloxy)-2,2-dimethylpropane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251227 100g In stock Inquiry
Batchno.20250929 1g In stock Inquiry
Batchno.20260325 25g In stock Inquiry
Batchno.20260621 5g In stock Inquiry
  • Product code: SSC-108664
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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, 5g, 10g, 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 22308-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

22308-12-9 / [2,2-dimethyl-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate

Standard CAS: 22308-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22308-12-9
Multi CAS
No
Molecular Formula
C19H24O6S2
Molecular Weight
412.500000
Exact Mass
412.101431
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)COS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H24O6S2/c1-15-5-9-17(10-6-15)26(20,21)24-13-19(3,4)14-25-27(22,23)18-11-7-16(2)8-12-18/h5-12H,13-14H2,1-4H3
InChIKey
LJISGCCLDDOYIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
102.41
TPSA
86.74

LogP / Solubility

WLOGP
3.44
MLOGP
3.05
XLogP3
4.1
Consensus LogP
3.53
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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