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CAS 725251-25-2 Iridium,(2,4-pentanedionato-κO,κO’)bis- molecular structure lightbox
CAS RN: 725251-25-2

Iridium,(2,4-pentanedionato-κO,κO’)bis-

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250416 1g In stock Shanghai Inquiry
Batchno.20250103 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS725251-25-2
  • Purity/Analytical Methods: >99.0%
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725251-25-2 / 4-bromo-N-[(3-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

Standard CAS: 725251-25-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
725251-25-2
Multi CAS
Yes
Molecular Formula
BC12H11O2Rn4
Molecular Weight
323.150000
Exact Mass
322.006540
InChI
InChI=1S/C12H11BrN4O2/c1-17-7-10(13)11(16-17)12(19)15-14-6-8-3-2-4-9(18)5-8/h2-7,18H,1H3,(H,15,19)
InChIKey
BMYFZHOREUBRQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.08
TPSA
79.51

LogP / Solubility

WLOGP
1.65
MLOGP
1.47
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

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
1.5

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