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CAS 146744-23-2 7-hydroxynaphthalen-2-yl acetate molecular structure lightbox
CAS RN: 146744-23-2

7-hydroxynaphthalen-2-yl acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251021 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS146744-23-2
  • Purity/Analytical Methods: >99.0%
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146744-23-2 / (7-hydroxynaphthalen-2-yl) acetate

Standard CAS: 146744-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146744-23-2
Multi CAS
No
Molecular Formula
C12H10O3
Molecular Weight
202.210000
Exact Mass
202.062994
SMILES
CC(=O)OC1=CC2=C(C=CC(=C2)O)C=C1
InChI
InChI=1S/C12H10O3/c1-8(13)15-12-5-3-9-2-4-11(14)6-10(9)7-12/h2-7,14H,1H3
InChIKey
OPAWKBQBXLRPLC-UHFFFAOYSA-N

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
1
Molar refractivity
56.92
TPSA
46.53

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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