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CAS 113023-57-7 1-[(4S)-4-(1-Methylethyl)-2-thioxo-3-oxazolidinyl]- molecular structure lightbox
CAS RN: 113023-57-7

1-[(4S)-4-(1-Methylethyl)-2-thioxo-3-oxazolidinyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-013245
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113023-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

113023-57-7 / 1-(4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-3-yl)propan-1-one

(S)-4-isopropyl-3-propionyl-1,3-oxazolidine-2-thione | 1-[(4S)-4-(1-Methylethyl)-2-thioxo-3-oxazolidinyl]-1-propanone | (S)-1-(4-Isopropyl-2-thioxooxazolidin-3-yl)propan-1-one

Standard CAS: 113023-57-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113023-57-7
Multi CAS
Yes
Molecular Formula
C9H15NO2S
Molecular Weight
201.290000
Exact Mass
201.082350
SMILES
CCC(=O)N1C(COC1=S)C(C)C
InChI
InChI=1S/C9H15NO2S/c1-4-8(11)10-7(6(2)3)5-12-9(10)13/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKey
FIEFJRBGCDTCBC-SSDOTTSWSA-N
Synonyms
(S)-4-isopropyl-3-propionyl-1,3-oxazolidine-2-thione 1-[(4S)-4-(1-Methylethyl)-2-thioxo-3-oxazolidinyl]-1-propanone (S)-1-(4-Isopropyl-2-thioxooxazolidin-3-yl)propan-1-one 1-[(4S)-4-Isopropyl-2-thioxo-oxazolidin-3-yl]propan-1-one MFCD08062495

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.31
TPSA
29.54

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
2.1
Consensus LogP
1.68
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.84

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

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