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CAS 133550-34-2 TYRPHOSTIN B46 molecular structure lightbox
CAS RN: 133550-34-2

TYRPHOSTIN B46

Product Availability

Choose a grade to view its available package options.

12 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 100mg In stock Inquiry
Batchno.20260201 10mg In stock Inquiry
Batchno.20250304 250mg In stock Inquiry
Batchno.20260121 25mg In stock Inquiry
Batchno.20250108 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 100mg In stock Shanghai Inquiry
Batchno.20250528 10mg In stock Shanghai Inquiry
Batchno.20250526 1g Out of stock Inquiry
Batchno.20250717 250mg In stock Shanghai Inquiry
Batchno.20260302 25mg In stock Shanghai Inquiry
Batchno.20251017 50mg In stock Shanghai Inquiry
  • Product code: SSC-040395
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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: 0.25g
  • 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 133550-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

133550-34-2 / (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide

Standard CAS: 133550-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133550-34-2
Multi CAS
No
Molecular Formula
C19H18N2O3
Molecular Weight
322.400000
Exact Mass
322.131742
SMILES
C1=CC=C(C=C1)CCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
InChIKey
GSQOBTOAOGXIFL-LFIBNONCSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
91.13
TPSA
93.35

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
3.2
Consensus LogP
2.8
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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