CAS RN: 1015-55-0
5 8-DIMETHOXY-1-TETRALONE 99
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1015-55-0
- Purity/Analytical Methods: >99.0%
1015-55-0 / 5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
5,8-Dimethoxytetralone | RefChem:913018 | 5,8-Dimethoxy-1-tetralone
Basic Information
CAS
1015-55-0
Multi CAS
Yes
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
SMILES
COC1=C2CCCC(=O)C2=C(C=C1)OC
InChI
InChI=1S/C12H14O3/c1-14-10-6-7-11(15-2)12-8(10)4-3-5-9(12)13/h6-7H,3-5H2,1-2H3
InChIKey
VAMWBRIIBYQTGS-UHFFFAOYSA-N
Synonyms
5,8-Dimethoxytetralone
RefChem:913018
5,8-Dimethoxy-1-tetralone
5,8-dimethoxy-3,4-dihydronaphthalen-1(2h)-one
3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.81
TPSA
35.53
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2
Consensus LogP
2.06
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.4
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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