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CAS 13185-18-7 8-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE molecular structure lightbox
CAS RN: 13185-18-7

8-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251231 25mg / 100mg / 500mg Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-038943
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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 13185-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13185-18-7 / 8-methoxy-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 13185-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13185-18-7
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
COC1=CC=CC2=C1C(=O)CCC2
InChI
InChI=1S/C11H12O2/c1-13-10-7-3-5-8-4-2-6-9(12)11(8)10/h3,5,7H,2,4,6H2,1H3
InChIKey
DJFIWDAAEBDDES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.26
TPSA
26.3

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.22

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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