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CAS 1173097-76-1 U0126-EtOH molecular structure lightbox
CAS RN: 1173097-76-1

U0126-EtOH

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg In stock Shanghai Inquiry
Batchno.20250118 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20260122 1g In stock Shanghai Inquiry
Batchno.20251201 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250525 250mg In stock Shanghai Inquiry
Batchno.20250613 25mg In stock Shanghai Inquiry
Batchno.20251128 50mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-017174
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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: 0.1g
  • Available purity: ≥98%
  • 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 1173097-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry

1173097-76-1 / (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol

U0126-EtOH | U0126 Ethanol | MFCD25977152

Standard CAS: 1173097-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1173097-76-1
Multi CAS
Yes
Molecular Formula
C20H22N6OS2
Molecular Weight
426.600000
Exact Mass
426.129652
SMILES
CCO.C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\C#N)/N
InChI
InChI=1S/C18H16N6S2.C2H6O/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+;
InChIKey
CFQULUVMLGZVAF-OYJDLGDISA-N
Synonyms
U0126-EtOH U0126 Ethanol MFCD25977152 U0126.EtOH (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
5
Molar refractivity
119.84
TPSA
171.89

LogP / Solubility

WLOGP
3.12
MLOGP
2.77
XLogP3
3.12
Consensus LogP
3
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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