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CAS 98886-44-3 Fosthiazate molecular structure lightbox
CAS RN: 98886-44-3

Fosthiazate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 20mg In stock Shanghai Inquiry
  • Product code: starshine_CAS98886-44-3
  • Purity/Analytical Methods: >99.0%
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98886-44-3 / 3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one

Standard CAS: 98886-44-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
98886-44-3
Multi CAS
Yes
Molecular Formula
C9H18NO3PS2
Molecular Weight
283.400000
Exact Mass
283.046573
InChI
InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
InChIKey
DUFVKSUJRWYZQP-UHFFFAOYSA-N

Physical Properties

Density
1.234 at 20 °C
Appearance
Pale yellow oil Clear, colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
71.14
TPSA
46.61

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
2
Consensus LogP
3.07
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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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