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CAS 528-66-5 NAPHTHOL AS-D ACETATE molecular structure lightbox
CAS RN: 528-66-5

NAPHTHOL AS-D ACETATE

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5 package records5 with current stock1 grade group
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Batchno.20250721 1g In stock Inquiry
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  • Product code: starshine_CAS528-66-5
  • Purity/Analytical Methods: >99.0%
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528-66-5 / [3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] acetate

Standard CAS: 528-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
528-66-5
Multi CAS
No
Molecular Formula
C20H17NO3
Molecular Weight
319.400000
Exact Mass
319.120843
InChI
InChI=1S/C20H17NO3/c1-13-7-3-6-10-18(13)21-20(23)17-11-15-8-4-5-9-16(15)12-19(17)24-14(2)22/h3-12H,1-2H3,(H,21,23)
InChIKey
PMRFWCJXRSRVPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
94.39
TPSA
55.4

LogP / Solubility

WLOGP
4.33
MLOGP
3.82
XLogP3
4.1
Consensus LogP
4.08
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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