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CAS 51529-97-6 5,6,7,8-Tetrahydronaphthalene-2-carboxaldehyde molecular structure lightbox
CAS RN: 51529-97-6

5,6,7,8-Tetrahydronaphthalene-2-carboxaldehyde

  • Product code: SSC-158423
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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 51529-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

51529-97-6 / 5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

Standard CAS: 51529-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51529-97-6
Multi CAS
No
Molecular Formula
C11H12O
Molecular Weight
160.210000
Exact Mass
160.088815
InChI
InChI=1S/C11H12O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-8H,1-4H2
InChIKey
NYNSNUNMTUNAEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.47
TPSA
17.07

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.8
Consensus LogP
2.42
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.01

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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