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CAS 331636-68-1 1-(4-METHOXYBENZOYL)-2-(1-NAPHTHOYL)-HYDRAZINE molecular structure lightbox
CAS RN: 331636-68-1

1-(4-METHOXYBENZOYL)-2-(1-NAPHTHOYL)-HYDRAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS331636-68-1
  • Purity/Analytical Methods: >99.0%
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331636-68-1 / N'-(4-methoxybenzoyl)naphthalene-1-carbohydrazide

Standard CAS: 331636-68-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
331636-68-1
Multi CAS
Yes
Molecular Formula
C19H16N2O3
Molecular Weight
320.300000
Exact Mass
320.116092
InChI
InChI=1S/C19H16N2O3/c1-24-15-11-9-14(10-12-15)18(22)20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKey
MTZHJEBRPLTJNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
91.87
TPSA
67.43

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
3.6
Consensus LogP
3.04
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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