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CAS 27752-24-5 6-METHOXY-2-METHYL-1-TETRALONE molecular structure lightbox
CAS RN: 27752-24-5

6-METHOXY-2-METHYL-1-TETRALONE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260602 100mg Out of stock Inquiry
Batchno.20260209 1g Out of stock Inquiry
Batchno.20260604 250mg Out of stock Inquiry
  • Product code: SSC-128113
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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 27752-24-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

27752-24-5 / 6-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 27752-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27752-24-5
Multi CAS
No
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
SMILES
CC1CCC2=C(C1=O)C=CC(=C2)OC
InChI
InChI=1S/C12H14O2/c1-8-3-4-9-7-10(14-2)5-6-11(9)12(8)13/h5-8H,3-4H2,1-2H3
InChIKey
ZTZCDPZRYPANDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.81
TPSA
26.3

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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