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CAS 66872-75-1 Calcium 3-Methyl-2-oxovalerate molecular structure lightbox
CAS RN: 66872-75-1

Calcium 3-Methyl-2-oxovalerate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260127 25g In stock Inquiry
Batchno.20250114 5g In stock Inquiry
  • Product code: SSC-176513
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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 66872-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

66872-75-1 / calcium bis(3-methyl-2-oxopentanoate)

Standard CAS: 66872-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66872-75-1
Multi CAS
Yes
Molecular Formula
C12H18CAO6
Molecular Weight
298.350000
Exact Mass
298.072929
InChI
InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKey
PTFSVYLXDCGPFY-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
64.69
TPSA
114.4

LogP / Solubility

WLOGP
-1.68
MLOGP
-1.46
XLogP3
-1.68
Consensus LogP
-1.61
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-5.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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