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CAS 26933-87-9 2-PYRENECARBALDEHYDE molecular structure lightbox
CAS RN: 26933-87-9

2-PYRENECARBALDEHYDE

  • Product code: SSC-125355
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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 26933-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

26933-87-9 / pyrene-2-carbaldehyde

Standard CAS: 26933-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26933-87-9
Multi CAS
No
Molecular Formula
C17H10O
Molecular Weight
230.260000
Exact Mass
230.073165
SMILES
C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)C=O)C=C2
InChI
InChI=1S/C17H10O/c18-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13/h1-10H
InChIKey
HCZHFOVHJWZHFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
75.53
TPSA
17.07

LogP / Solubility

WLOGP
4.4
MLOGP
3.87
XLogP3
4.5
Consensus LogP
4.26
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1

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
2

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