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CAS 1865-83-4 7-Methoxy-1,1-diMethyl-3,4-dihydronaphthalen-2(1H)-one molecular structure lightbox
CAS RN: 1865-83-4

7-Methoxy-1,1-diMethyl-3,4-dihydronaphthalen-2(1H)-one

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250324 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250419 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250629 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250906 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250210 5g In stock Shanghai Inquiry
  • Product code: SSC-086623
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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 1865-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1865-83-4 / 7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one

Standard CAS: 1865-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1865-83-4
Multi CAS
No
Molecular Formula
C13H16O2
Molecular Weight
204.260000
Exact Mass
204.115030
SMILES
CC1(C(=O)CCC2=C1C=C(C=C2)OC)C
InChI
InChI=1S/C13H16O2/c1-13(2)11-8-10(15-3)6-4-9(11)5-7-12(13)14/h4,6,8H,5,7H2,1-3H3
InChIKey
XKNWKUDWLZEPBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.35
TPSA
26.3

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.2

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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