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CAS 55571-74-9 Methyl 4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate molecular structure lightbox
CAS RN: 55571-74-9

Methyl 4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

  • Product code: SSC-163495
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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 55571-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

55571-74-9 / methyl 4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate

Standard CAS: 55571-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55571-74-9
Multi CAS
No
Molecular Formula
C12H12O3
Molecular Weight
204.220000
Exact Mass
204.078644
InChI
InChI=1S/C12H12O3/c1-15-12(14)9-6-8-4-2-3-5-10(8)11(13)7-9/h2-5,9H,6-7H2,1H3
InChIKey
DEWCTUGXGSZFBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.6
TPSA
43.37

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.5
Consensus LogP
1.5
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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