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CAS 298-03-3 DEMETON O molecular structure lightbox
CAS RN: 298-03-3

DEMETON O

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 1ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS298-03-3
  • Purity/Analytical Methods: >99.0%
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298-03-3 / diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane

Standard CAS: 298-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
298-03-3
Multi CAS
No
Molecular Formula
C8H19O3PS2
Molecular Weight
258.300000
Exact Mass
258.051324
InChI
InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
InChIKey
DGLIBALSRMUQDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
66.49
TPSA
27.69

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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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