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CAS 98683-00-2 N-Phenyl-1-anthramine molecular structure lightbox
CAS RN: 98683-00-2

N-Phenyl-1-anthramine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 100mg Out of stock 8-10 business days Inquiry
  • Product code: ICTP1494
  • Purity/Analytical Methods: >98.0%(GC)
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98683-00-2 / N-phenylanthracen-1-amine

Standard CAS: 98683-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98683-00-2
Multi CAS
No
Molecular Formula
C20H15N
Molecular Weight
269.300000
Exact Mass
269.120449
InChI
InChI=1S/C20H15N/c1-2-10-18(11-3-1)21-20-12-6-9-17-13-15-7-4-5-8-16(15)14-19(17)20/h1-14,21H
InChIKey
QCOIZKZASBFCJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.18
TPSA
12.03

LogP / Solubility

WLOGP
5.74
MLOGP
5.06
XLogP3
6
Consensus LogP
5.6
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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