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CAS 1264754-13-3 E3 ligase Ligand 5 molecular structure lightbox
CAS RN: 1264754-13-3

E3 ligase Ligand 5

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 50mg / 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-033563
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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: ≥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 1264754-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1264754-13-3 / 4-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile

Standard CAS: 1264754-13-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1264754-13-3
Multi CAS
No
Molecular Formula
C19H11F3N2O4S
Molecular Weight
420.400000
Exact Mass
420.039163
SMILES
COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=C(C=C(C=C3)C#N)C(F)(F)F
InChI
InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)/b16-8-
InChIKey
OBBIOCQFTMNSJI-PXNMLYILSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
98.33
TPSA
88.42

LogP / Solubility

WLOGP
4.7
MLOGP
4.16
XLogP3
4.3
Consensus LogP
4.39
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

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

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