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CAS 111406-87-2 Zileuton molecular structure lightbox
CAS RN: 111406-87-2

Zileuton

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 100g In stock Shanghai Inquiry
Batchno.20250710 100mg In stock Shanghai Inquiry
Batchno.20250405 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251221 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250327 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250613 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-012141
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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: ＞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 111406-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

111406-87-2 / 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

ZILEUTON | Zyflo | Leutrol

Standard CAS: 111406-87-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
111406-87-2
Multi CAS
Yes
Molecular Formula
C11H12N2O2S
Molecular Weight
236.290000
Exact Mass
236.061949
SMILES
CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O
InChI
InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
InChIKey
MWLSOWXNZPKENC-UHFFFAOYSA-N
Synonyms
ZILEUTON Zyflo Leutrol Zyflo CR Zileutonum

Physical Properties

Melting Point
144.2-145.2 °C 144.2 - 145.2 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.45
TPSA
66.56

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
1.6
Consensus LogP
2.25
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (88.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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