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CAS 542-42-7 CALCIUM PALMITATE molecular structure lightbox
CAS RN: 542-42-7

CALCIUM PALMITATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS542-42-7
  • Purity/Analytical Methods: >99.0%
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542-42-7 / calcium bis(hexadecanoate)

Standard CAS: 542-42-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
542-42-7
Multi CAS
Yes
Molecular Formula
C32H62CAO4
Molecular Weight
550.900000
Exact Mass
550.427401
InChI
InChI=1S/2C16H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
InChIKey
HRBZRZSCMANEHQ-UHFFFAOYSA-L

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.94
Rotatable bonds
28
H-bond acceptors
4
Molar refractivity
156.39
TPSA
80.26

LogP / Solubility

WLOGP
8.05
MLOGP
7.13
XLogP3
8.05
Consensus LogP
7.74
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-9.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.29
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-0.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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