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CAS 42545-34-6 5-(2-Nitrophenyl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 42545-34-6

5-(2-Nitrophenyl)thiophene-2-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-150869
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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: 0.1g
  • 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 42545-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

42545-34-6 / 5-(2-nitrophenyl)thiophene-2-carbaldehyde

Standard CAS: 42545-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42545-34-6
Multi CAS
No
Molecular Formula
C11H7NO3S
Molecular Weight
233.240000
Exact Mass
233.014664
InChI
InChI=1S/C11H7NO3S/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H
InChIKey
XATOZQNAFCDQPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.8
TPSA
60.21

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
2.9
Consensus LogP
2.93
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-1.92

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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