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CAS 25094-02-4 Calcium chloride tetrahydrate molecular structure lightbox
CAS RN: 25094-02-4

Calcium chloride tetrahydrate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 10kg In stock Shanghai, Shandong Inquiry
Batchno.20260107 2.5kg In stock Shandong, Guangdong Inquiry
Batchno.20260514 500g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS25094-02-4
  • Purity/Analytical Methods: >99.0%
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25094-02-4 / calcium;dichloride;hexahydrate

Standard CAS: 25094-02-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25094-02-4
Multi CAS
No
Molecular Formula
CaCl2H12O6
Molecular Weight
219.070000
Exact Mass
217.963684
SMILES
O.O.O.O.O.O.[Cl-].[Cl-].[Ca+2]
InChI
InChI=1S/Ca.2ClH.6H2O/h;2*1H;6*1H2/q+2;;;;;;;;/p-2
InChIKey
QHFQAJHNDKBRBO-UHFFFAOYSA-L

Physical Properties

Physical Description
Deliquescent solid; [Merck Index] Colorless hygroscopic solid; mp = 30 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
8
H-bond donors
6
Molar refractivity
27.44
TPSA
189

LogP / Solubility

WLOGP
-11.32
MLOGP
-9.96
XLogP3
-11.32
Consensus LogP
-10.87
Log S (ESOL)
5.93
Class (ESOL)
Highly soluble
Log S (Ali)
6.82
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.31
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)
-12.09

Drug-likeness / Medicinal Chemistry

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

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