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CAS 108804-50-8 1-Acetyl-2,6-dihydroxynaphthalene molecular structure lightbox
CAS RN: 108804-50-8

1-Acetyl-2,6-dihydroxynaphthalene

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250930 1g In stock Shanghai Inquiry
Batchno.20250119 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-010060
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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, 5g
  • Available purity: ≥97%
  • 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 108804-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

108804-50-8 / 1-(2,6-dihydroxynaphthalen-1-yl)ethanone

1-Acetyl-2,6-dihydroxynaphthalene | 1-(2,6-dihydroxynaphthalen-1-yl)ethanone | MFCD24725628

Standard CAS: 108804-50-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108804-50-8
Multi CAS
Yes
Molecular Formula
C12H10O3
Molecular Weight
202.210000
Exact Mass
202.062994
SMILES
CC(=O)C1=C(C=CC2=C1C=CC(=C2)O)O
InChI
InChI=1S/C12H10O3/c1-7(13)12-10-4-3-9(14)6-8(10)2-5-11(12)15/h2-6,14-15H,1H3
InChIKey
BXEYIDZNPJQWFK-UHFFFAOYSA-N
Synonyms
1-Acetyl-2,6-dihydroxynaphthalene 1-(2,6-dihydroxynaphthalen-1-yl)ethanone MFCD24725628 1-(2,6-Dihydroxynaphthalen-1-yl)ethan-1-one 1-Acetyl-2,6-naphthalenediol

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.28
TPSA
57.53

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.7
Consensus LogP
2.44
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.21

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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