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CAS 22454-86-0 CALCIUM OROTATE molecular structure lightbox
CAS RN: 22454-86-0

CALCIUM OROTATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250320 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-109676
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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: 100g
  • 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 22454-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

22454-86-0 / CALCIUM OROTATE

Standard CAS: 22454-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22454-86-0
Multi CAS
No
Molecular Formula
C5H6CaN2O4
Molecular Weight
198.190000
Exact Mass
197.995348
SMILES
C1C(NC(=O)NC1=O)C(=O)O.[Ca]
InChI
InChI=1S/C5H6N2O4.Ca/c8-3-1-2(4(9)10)6-5(11)7-3;/h2H,1H2,(H,9,10)(H2,6,7,8,11);
InChIKey
VVVIPXHVFWHCTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.47
TPSA
95.5

LogP / Solubility

WLOGP
-1.71
MLOGP
-1.51
XLogP3
-1.71
Consensus LogP
-1.64
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
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)
-5.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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