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CAS 5588-20-5 clodantoin molecular structure lightbox
CAS RN: 5588-20-5

clodantoin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5588-20-5
  • Purity/Analytical Methods: >99.0%
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5588-20-5 / 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione

Standard CAS: 5588-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5588-20-5
Multi CAS
No
Molecular Formula
C11H17CL3N2O2S
Molecular Weight
347.700000
Exact Mass
346.007632
InChI
InChI=1S/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKey
VOGJJBHRUDVEFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.35
TPSA
49.41

LogP / Solubility

WLOGP
4.1
MLOGP
3.62
XLogP3
4.7
Consensus LogP
4.14
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
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
No
Log Kp (skin permeation)
-1.93

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
2.5

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