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CAS 24647-82-3 2-Formyl-3-thiophenecarboxylic acid methyl ester molecular structure lightbox
CAS RN: 24647-82-3

2-Formyl-3-thiophenecarboxylic acid methyl ester

  • Product code: SSC-119559
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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 24647-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

24647-82-3 / methyl 2-formylthiophene-3-carboxylate

Standard CAS: 24647-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24647-82-3
Multi CAS
No
Molecular Formula
C7H6O3S
Molecular Weight
170.190000
Exact Mass
170.003765
InChI
InChI=1S/C7H6O3S/c1-10-7(9)5-2-3-11-6(5)4-8/h2-4H,1H3
InChIKey
ADAAURCEFZTYJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
41.05
TPSA
43.37

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.8

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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