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CAS 2642-98-0 6-AMINOCHRYSENE molecular structure lightbox
CAS RN: 2642-98-0

6-AMINOCHRYSENE

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5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 100mg Out of stock Inquiry
Batchno.20250806 10mg Out of stock Inquiry
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Batchno.20260211 25mg Out of stock 5-7 business days Inquiry
Batchno.20260113 50mg Out of stock Inquiry
  • Product code: starshine_CAS2642-98-0
  • Purity/Analytical Methods: >99.0%
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2642-98-0 / chrysen-6-amine

Standard CAS: 2642-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2642-98-0
Multi CAS
No
Molecular Formula
C18H13N
Molecular Weight
243.300000
Exact Mass
243.104799
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N
InChI
InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
InChIKey
KIVUHCNVDWYUNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
83.37
TPSA
26.02

LogP / Solubility

WLOGP
4.73
MLOGP
4.17
XLogP3
5
Consensus LogP
4.63
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85

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
2

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