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CAS 13759-87-0 SAMARIUM BROMIDE molecular structure lightbox
CAS RN: 13759-87-0

SAMARIUM BROMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250301 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS13759-87-0
  • Purity/Analytical Methods: >99.0%
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13759-87-0 / tribromosamarium

Standard CAS: 13759-87-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13759-87-0
Multi CAS
No
Molecular Formula
Br3Sm
Molecular Weight
390.100000
Exact Mass
390.672700
SMILES
Br[Sm](Br)Br
InChI
InChI=1S/3BrH.Sm/h3*1H;/q;;;+3/p-3
InChIKey
ICKYUJFKBKOPJT-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
4
Molar refractivity
26.78
TPSA
0.0000

LogP / Solubility

WLOGP
2.54
MLOGP
2.26
XLogP3
2.54
Consensus LogP
2.45
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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