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CAS 235097-76-4 2-Isopropoxyethyl Methanesulfonate molecular structure lightbox
CAS RN: 235097-76-4

2-Isopropoxyethyl Methanesulfonate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-113700
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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 235097-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

235097-76-4 / 2-propan-2-yloxyethyl methanesulfonate

Standard CAS: 235097-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
235097-76-4
Multi CAS
No
Molecular Formula
C6H14O4S
Molecular Weight
182.240000
Exact Mass
182.061280
SMILES
CC(C)OCCOS(=O)(=O)C
InChI
InChI=1S/C6H14O4S/c1-6(2)9-4-5-10-11(3,7)8/h6H,4-5H2,1-3H3
InChIKey
YDKQNGZSQDGFRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
41.88
TPSA
52.6

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.56

Drug-likeness / Medicinal Chemistry

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

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