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CAS 67488-50-0 Methyl 3-Sulfolene-3-carboxylate molecular structure lightbox
CAS RN: 67488-50-0

Methyl 3-Sulfolene-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 200mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-177175
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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: ＞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 67488-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

67488-50-0 / methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate

Standard CAS: 67488-50-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67488-50-0
Multi CAS
Yes
Molecular Formula
C6H8O4S
Molecular Weight
176.190000
Exact Mass
176.014330
InChI
InChI=1S/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3
InChIKey
YHHZABJZHHCDNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
38.75
TPSA
60.44

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.43
XLogP3
-0.6
Consensus LogP
-0.51
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.14

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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