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CAS 1204-23-5 7-METHOXY-1-METHYL-2-TETRALONE molecular structure lightbox
CAS RN: 1204-23-5

7-METHOXY-1-METHYL-2-TETRALONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-021362
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1204-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

1204-23-5 / 7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one

1-methyl-7-methoxy-2-tetralone | RefChem:231977 | 7-Methoxy-1-methyl-2-tetralone

Standard CAS: 1204-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204-23-5
Multi CAS
No
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
SMILES
CC1C(=O)CCC2=C1C=C(C=C2)OC
InChI
InChI=1S/C12H14O2/c1-8-11-7-10(14-2)5-3-9(11)4-6-12(8)13/h3,5,7-8H,4,6H2,1-2H3
InChIKey
DYIWPPSNJSVFED-UHFFFAOYSA-N
Synonyms
1-methyl-7-methoxy-2-tetralone RefChem:231977 7-Methoxy-1-methyl-2-tetralone 7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one 7-methoxy-1-methyl-3,4-dihydronaphthalen-2(1H)-one

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
54.74
TPSA
26.3

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.24

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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