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CAS 154260-41-0 Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-[(methylthio)methyl]-, (S)- (9CI) molecular structure lightbox
CAS RN: 154260-41-0

Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-[(methylthio)methyl]-, (S)- (9CI)

  • Product code: SSC-063642
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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 154260-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

154260-41-0 / (4S)-2-(methylsulfanylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 154260-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154260-41-0
Multi CAS
No
Molecular Formula
C8H15NOS
Molecular Weight
173.280000
Exact Mass
173.087435
SMILES
CC(C)[C@H]1COC(=N1)CSC
InChI
InChI=1S/C8H15NOS/c1-6(2)7-4-10-8(9-7)5-11-3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKey
KHJCEEVYVMIERZ-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
50.4
TPSA
21.59

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.5

Drug-likeness / Medicinal Chemistry

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

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