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CAS 67808-70-2 Ethyl 2-forMylthiophene-3-carboxylate molecular structure lightbox
CAS RN: 67808-70-2

Ethyl 2-forMylthiophene-3-carboxylate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 100mg In stock Shanghai Inquiry
Batchno.20250805 1g Out of stock Inquiry
Batchno.20250119 250mg In stock Shanghai Inquiry
  • Product code: SSC-177565
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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: 0.25g
  • 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 67808-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shanghai Inquiry

67808-70-2 / ethyl 2-formylthiophene-3-carboxylate

Standard CAS: 67808-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67808-70-2
Multi CAS
No
Molecular Formula
C8H8O3S
Molecular Weight
184.210000
Exact Mass
184.019415
InChI
InChI=1S/C8H8O3S/c1-2-11-8(10)6-3-4-12-7(6)5-9/h3-5H,2H2,1H3
InChIKey
QOSBAIIGYJFUQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
45.66
TPSA
43.37

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.61

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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