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CAS 5793-85-1 Calcium Phthalate molecular structure lightbox
CAS RN: 5793-85-1

Calcium Phthalate

  • Product code: SSC-166125
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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: 5g
  • 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 5793-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

5793-85-1 / calcium phthalate

Standard CAS: 5793-85-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5793-85-1
Multi CAS
Yes
Molecular Formula
C8H4CAO4
Molecular Weight
204.190000
Exact Mass
203.973550
InChI
InChI=1S/C8H6O4.Ca/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2
InChIKey
PYSZASIZWHHPHJ-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
40.86
TPSA
80.26

LogP / Solubility

WLOGP
-1.97
MLOGP
-1.73
XLogP3
-1.97
Consensus LogP
-1.89
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
Class (SILICOS-IT)
Highly 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)
-5.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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