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CAS 51437-64-0 Phenacetin Impurity 20 molecular structure lightbox
CAS RN: 51437-64-0

Phenacetin Impurity 20

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251030 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS51437-64-0
  • Purity/Analytical Methods: >99.0%
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51437-64-0 / (4-ethoxyphenyl)-(4-ethoxyphenyl)imino-oxidoazanium

Standard CAS: 51437-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51437-64-0
Multi CAS
No
Molecular Formula
C16H18N2O3
Molecular Weight
286.330000
Exact Mass
286.131742
InChI
InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3
InChIKey
QUICZVHSJNKDBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
80.6
TPSA
56.89

LogP / Solubility

WLOGP
4.41
MLOGP
3.89
XLogP3
3.8
Consensus LogP
4.03
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

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

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