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CAS 479243-27-1 5-(2-Methoxyphenyl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 479243-27-1

5-(2-Methoxyphenyl)thiophene-2-carbaldehyde

  • Product code: SSC-154913
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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 479243-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

479243-27-1 / 5-(2-methoxyphenyl)thiophene-2-carbaldehyde

Standard CAS: 479243-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
479243-27-1
Multi CAS
No
Molecular Formula
C12H10O2S
Molecular Weight
218.270000
Exact Mass
218.040151
InChI
InChI=1S/C12H10O2S/c1-14-11-5-3-2-4-10(11)12-7-6-9(8-13)15-12/h2-8H,1H3
InChIKey
DYZXRQXNOYTTLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.69
TPSA
26.3

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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