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CAS 86539-77-7 1-(2,6-DiMethoxynaphthalen-1-yl)ethanone molecular structure lightbox
CAS RN: 86539-77-7

1-(2,6-DiMethoxynaphthalen-1-yl)ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-195694
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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, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 86539-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry

86539-77-7 / 1-(2,6-dimethoxynaphthalen-1-yl)ethanone

Standard CAS: 86539-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86539-77-7
Multi CAS
No
Molecular Formula
C14H14O3
Molecular Weight
230.260000
Exact Mass
230.094294
InChI
InChI=1S/C14H14O3/c1-9(15)14-12-6-5-11(16-2)8-10(12)4-7-13(14)17-3/h4-8H,1-3H3
InChIKey
CKJQPCGQBADQGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
67.06
TPSA
35.53

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

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