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CAS 35338-72-8 7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one molecular structure lightbox
CAS RN: 35338-72-8

7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35338-72-8
  • Purity/Analytical Methods: >99.0%
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35338-72-8 / 7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

Standard CAS: 35338-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35338-72-8
Multi CAS
No
Molecular Formula
C13H16O
Molecular Weight
188.260000
Exact Mass
188.120115
InChI
InChI=1S/C13H16O/c1-9(2)11-7-6-10-4-3-5-13(14)12(10)8-11/h6-9H,3-5H2,1-2H3
InChIKey
FTTPUMZADACVGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.8
TPSA
17.07

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
3.1
Consensus LogP
3.12
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-1.5

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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