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CAS 67488-46-4 Methyl 2,5-Dihydrothiophene-3-carboxylate molecular structure lightbox
CAS RN: 67488-46-4

Methyl 2,5-Dihydrothiophene-3-carboxylate

  • Product code: SSC-177174
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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: 5g
  • 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 67488-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

67488-46-4 / methyl 2,5-dihydrothiophene-3-carboxylate

Standard CAS: 67488-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67488-46-4
Multi CAS
No
Molecular Formula
C6H8O2S
Molecular Weight
144.190000
Exact Mass
144.024501
InChI
InChI=1S/C6H8O2S/c1-8-6(7)5-2-3-9-4-5/h2H,3-4H2,1H3
InChIKey
RDHSPSSFHQGPDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.42
TPSA
26.3

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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