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CAS 2979-69-3 4,4-DIMETHYL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE molecular structure lightbox
CAS RN: 2979-69-3

4,4-DIMETHYL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251022 1g In stock Inquiry
Batchno.20250620 250mg In stock Inquiry
Batchno.20260429 50mg In stock Inquiry
  • Product code: SSC-132969
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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: 0.1g, 0.25g, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2979-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Beijing Inquiry

2979-69-3 / 4,4-dimethyl-2,3-dihydronaphthalen-1-one

Standard CAS: 2979-69-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2979-69-3
Multi CAS
Yes
Molecular Formula
C12H14O
Molecular Weight
174.240000
Exact Mass
174.104465
InChI
InChI=1S/C12H14O/c1-12(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3
InChIKey
NHDVZOXPHYFANX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
1
Molar refractivity
53.03
TPSA
17.07

LogP / Solubility

WLOGP
2.94
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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