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CAS 15776-11-1 (S)-4-(2′-METHYLTHIOETHYL)OXAZOLIDINE-2,5-DIONE molecular structure lightbox
CAS RN: 15776-11-1

(S)-4-(2′-METHYLTHIOETHYL)OXAZOLIDINE-2,5-DIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15776-11-1
  • Purity/Analytical Methods: >99.0%
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15776-11-1 / (4S)-4-(2-methylsulfanylethyl)-1,3-oxazolidine-2,5-dione

Standard CAS: 15776-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15776-11-1
Multi CAS
No
Molecular Formula
C6H9NO3S
Molecular Weight
175.210000
Exact Mass
175.030314
SMILES
CSCC[C@H]1C(=O)OC(=O)N1
InChI
InChI=1S/C6H9NO3S/c1-11-3-2-4-5(8)10-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m0/s1
InChIKey
HIHFRAZOZMTUMG-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.41
TPSA
55.4

LogP / Solubility

WLOGP
0.37
MLOGP
0.33
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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