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CAS 136476-38-5 1,1-CyclopropanediMethanol diMethanesulfonate molecular structure lightbox
CAS RN: 136476-38-5

1,1-CyclopropanediMethanol diMethanesulfonate

  • Product code: SSC-045498
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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: 5g
  • 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 136476-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

136476-38-5 / [1-(methylsulfonyloxymethyl)cyclopropyl]methyl methanesulfonate

Standard CAS: 136476-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136476-38-5
Multi CAS
No
Molecular Formula
C7H14O6S2
Molecular Weight
258.300000
Exact Mass
258.023181
SMILES
CS(=O)(=O)OCC1(CC1)COS(=O)(=O)C
InChI
InChI=1S/C7H14O6S2/c1-14(8,9)12-5-7(3-4-7)6-13-15(2,10)11/h3-6H2,1-2H3
InChIKey
AJCCFESSOMSUKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
53.26
TPSA
86.74

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.24
XLogP3
-0.3
Consensus LogP
-0.27
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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