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CAS 1769-84-2 6-methoxy-2-phenyl-tetralone molecular structure lightbox
CAS RN: 1769-84-2

6-methoxy-2-phenyl-tetralone

  • Product code: SSC-077395
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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: ＞97%
  • 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 1769-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1769-84-2 / 6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 1769-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1769-84-2
Multi CAS
No
Molecular Formula
C17H16O2
Molecular Weight
252.310000
Exact Mass
252.115030
SMILES
COC1=CC2=C(C=C1)C(=O)C(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H16O2/c1-19-14-8-10-16-13(11-14)7-9-15(17(16)18)12-5-3-2-4-6-12/h2-6,8,10-11,15H,7,9H2,1H3
InChIKey
XSTDIWNKASNIET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.83
TPSA
26.3

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
3.7
Consensus LogP
3.5
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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)
-1.7

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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