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CAS 3586-60-5 Asomate, 分析对照品 molecular structure lightbox
CAS RN: 3586-60-5

Asomate, 分析对照品

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 50mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260222 10mg Out of stock Inquiry
Batchno.20260602 50mg In stock Inquiry
  • Product code: LINA929666
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3586-60-5 / bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate

Standard CAS: 3586-60-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3586-60-5
Multi CAS
Yes
Molecular Formula
AsC9H18N3S6
Molecular Weight
435.600000
Exact Mass
434.904094
InChI
InChI=1S/C9H18AsN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3
InChIKey
GAMFEMAXLMWCRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
107.38
TPSA
9.72

LogP / Solubility

WLOGP
2.71
MLOGP
2.41
XLogP3
2.71
Consensus LogP
2.61
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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