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CAS 72966-50-8 72966-50-8 molecular structure lightbox
CAS RN: 72966-50-8

72966-50-8

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-182425
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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: ≥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 72966-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

72966-50-8 / 2-prop-2-enoyloxyethyl 2-cyano-3,3-diphenylprop-2-enoate

Standard CAS: 72966-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72966-50-8
Multi CAS
No
Molecular Formula
C21H17NO4
Molecular Weight
347.400000
Exact Mass
347.115758
InChI
InChI=1S/C21H17NO4/c1-2-19(23)25-13-14-26-21(24)18(15-22)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12H,1,13-14H2
InChIKey
ZJQFXMRCCPCFEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
96.63
TPSA
76.39

LogP / Solubility

WLOGP
3.28
MLOGP
2.91
XLogP3
4.5
Consensus LogP
3.56
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

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