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CAS 4472-92-8 CINNAMYLIDENEMALONIC ACID molecular structure lightbox
CAS RN: 4472-92-8

CINNAMYLIDENEMALONIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250219 100g Out of stock Inquiry
Batchno.20250201 1g In stock Inquiry
Batchno.20260228 25g In stock Inquiry
Batchno.20260209 5g In stock Inquiry
  • Product code: SSC-152737
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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 4472-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4472-92-8 / 2-cinnamylidenepropanedioic acid

Standard CAS: 4472-92-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4472-92-8
Multi CAS
Yes
Molecular Formula
C12H10O4
Molecular Weight
218.200000
Exact Mass
218.057909
InChI
InChI=1S/C12H10O4/c13-11(14)10(12(15)16)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14)(H,15,16)/b7-4+
InChIKey
BLPUXJIIRIWMSQ-QPJJXVBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.83
TPSA
74.6

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
3.4
Consensus LogP
2.26
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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
1.5

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