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CAS 19372-44-2 Bis(2,4-pentanedionato)calcium(II) molecular structure lightbox
CAS RN: 19372-44-2

Bis(2,4-pentanedionato)calcium(II)

  • Product code: SSC-091520
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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: 500g
  • Available purity: ≥97%
  • 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 19372-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

19372-44-2 / calcium bis((Z)-4-oxopent-2-en-2-olate)

Standard CAS: 19372-44-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19372-44-2
Multi CAS
No
Molecular Formula
C10H14CaO4
Molecular Weight
238.290000
Exact Mass
238.051800
SMILES
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ca+2]
InChI
InChI=1S/2C5H8O2.Ca/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
InChIKey
QAZYYQMPRQKMAC-FDGPNNRMSA-L

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.63
TPSA
80.26

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.61
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (20.1%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (75.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (75.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (21%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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