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CAS 827320-59-2 1-Methyl-3-(4-sulfobutyl)imidazolium Hydrogen Sulfate molecular structure lightbox
CAS RN: 827320-59-2

1-Methyl-3-(4-sulfobutyl)imidazolium Hydrogen Sulfate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 100g In stock Shanghai Inquiry
Batchno.20250426 25g In stock Shanghai Inquiry
Batchno.20250307 500g In stock Shanghai Inquiry
Batchno.20250321 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-190793
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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: 25g
  • 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 827320-59-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

827320-59-2 / hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid

Standard CAS: 827320-59-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
827320-59-2
Multi CAS
Yes
Molecular Formula
C8H16N2O7S2
Molecular Weight
316.400000
Exact Mass
316.039893
InChI
InChI=1S/C8H14N2O3S.H2O4S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)
InChIKey
IEKJIBPFXKAASL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
63.58
TPSA
140.61

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.88
XLogP3
-1.01
Consensus LogP
-0.97
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.37

Drug-likeness / Medicinal Chemistry

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

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