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CAS 73487-00-0 CADMIUM IONOPHORE I molecular structure lightbox
CAS RN: 73487-00-0

CADMIUM IONOPHORE I

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS73487-00-0
  • Purity/Analytical Methods: >99.0%
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73487-00-0 / N,N-dibutyl-2-[2-[2-(dibutylamino)-2-sulfanylideneethoxy]ethoxy]ethanethioamide

Standard CAS: 73487-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73487-00-0
Multi CAS
No
Molecular Formula
C22H44N2O2S2
Molecular Weight
432.700000
Exact Mass
432.284421
InChI
InChI=1S/C22H44N2O2S2/c1-5-9-13-23(14-10-6-2)21(27)19-25-17-18-26-20-22(28)24(15-11-7-3)16-12-8-4/h5-20H2,1-4H3
InChIKey
NKWPVGBRWCCVGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.91
Rotatable bonds
19
H-bond acceptors
4
Molar refractivity
129.61
TPSA
24.94

LogP / Solubility

WLOGP
5.48
MLOGP
4.85
XLogP3
5.2
Consensus LogP
5.18
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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