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CAS 7400-45-5 Methyl 3-[(2-Methoxy-2-oxoethyl)thio]propionate molecular structure lightbox
CAS RN: 7400-45-5

Methyl 3-[(2-Methoxy-2-oxoethyl)thio]propionate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-183424
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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: 10g
  • Available purity: ≥97%
  • 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 7400-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

7400-45-5 / methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate

Standard CAS: 7400-45-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7400-45-5
Multi CAS
Yes
Molecular Formula
C7H12O4S
Molecular Weight
192.240000
Exact Mass
192.045630
InChI
InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3
InChIKey
XNDKLLFGXIEGKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
45.97
TPSA
52.6

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
0.6
Consensus LogP
0.49
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.57

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
1.5

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