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CAS 22208-73-7 CALCIUM BROMIDE DIHYDRATE molecular structure lightbox
CAS RN: 22208-73-7

CALCIUM BROMIDE DIHYDRATE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250718 2.5kg In stock Shanghai Inquiry
Batchno.20260429 500g In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS22208-73-7
  • Purity/Analytical Methods: >99.0%
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22208-73-7 / calcium;dibromide;dihydrate

Standard CAS: 22208-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22208-73-7
Multi CAS
No
Molecular Formula
Br2CaH4O2
Molecular Weight
235.920000
Exact Mass
235.818350
SMILES
O.O.[Ca+2].[Br-].[Br-]
InChI
InChI=1S/2BrH.Ca.2H2O/h2*1H;;2*1H2/q;;+2;;/p-2
InChIKey
XABDSFFYLIOFDO-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
12.98
TPSA
63

LogP / Solubility

WLOGP
-8.02
MLOGP
-7.06
XLogP3
-8.02
Consensus LogP
-7.7
Log S (ESOL)
3.75
Class (ESOL)
Highly soluble
Log S (Ali)
4.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.46
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)
-9.85

Drug-likeness / Medicinal Chemistry

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

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