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CAS 16156-53-9 Isobutyl Methanesulfonate molecular structure lightbox
CAS RN: 16156-53-9

Isobutyl Methanesulfonate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 1g In stock Inquiry
Batchno.20250218 250mg In stock Inquiry
Batchno.20250208 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260207 5g Out of stock Inquiry
  • Product code: SSC-069175
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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: ＞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 16156-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

16156-53-9 / 2-methylpropyl methanesulfonate

Standard CAS: 16156-53-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16156-53-9
Multi CAS
No
Molecular Formula
C5H12O3S
Molecular Weight
152.210000
Exact Mass
152.050715
SMILES
CC(C)COS(=O)(=O)C
InChI
InChI=1S/C5H12O3S/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3
InChIKey
PZMKMCFRTKGVOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
35.63
TPSA
43.37

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
1
Consensus LogP
0.72
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.21

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501

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