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CAS 884497-34-1 4-ETHYL-5-METHYLTHIOPHENE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 884497-34-1

4-ETHYL-5-METHYLTHIOPHENE-3-CARBOXYLIC ACID

  • Product code: SSC-199135
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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 884497-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

884497-34-1 / 4-ethyl-5-methylthiophene-3-carboxylic acid

Standard CAS: 884497-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
884497-34-1
Multi CAS
No
Molecular Formula
C8H10O2S
Molecular Weight
170.230000
Exact Mass
170.040151
InChI
InChI=1S/C8H10O2S/c1-3-6-5(2)11-4-7(6)8(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKey
PLGXACUSGWZNKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.39
TPSA
37.3

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.22
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.11

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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