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CAS 26351-19-9 Violuric acid monohydrate molecular structure lightbox
CAS RN: 26351-19-9

Violuric acid monohydrate

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251025 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-123793
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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: 10g
  • 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 26351-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

26351-19-9 / methyl 4-methylbenzenesulfonate

Standard CAS: 26351-19-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26351-19-9
Multi CAS
No
Molecular Formula
C8H10O3S
Molecular Weight
186.230000
Exact Mass
186.035065
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC
InChI
InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChIKey
VUQUOGPMUUJORT-UHFFFAOYSA-N

Physical Properties

Melting Point
28-29 °C
Boiling Point
292 °C @ 760 MM HG
Density
1.230 @ 25 DEG/25 °C
Physical Description
Other Solid White vesicant solid; Solidifies at 24 deg C; [Hawley] White or light brown solid; mp = 28-29 deg C; [HSDB] Off-white low melting solid or clear liquid; mp = 27-28 deg C
Appearance
MONOCLINIC LEAFLETS OR PRISMS FROM ETHER-PETROLEUM ETHER LIGHT BROWN CRYSTALS WHITE DAMP CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.37
TPSA
43.37

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
2.2
Consensus LogP
1.57
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-2.91

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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