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CAS 1801421-10-2 4H-Azepino[2,3,4,5-def:6,7,1-j’k’]dicarbazole molecular structure lightbox
CAS RN: 1801421-10-2

4H-Azepino[2,3,4,5-def:6,7,1-j’k’]dicarbazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1801421-10-2
  • Purity/Analytical Methods: >99.0%
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1801421-10-2 / 14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

Standard CAS: 1801421-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1801421-10-2
Multi CAS
No
Molecular Formula
C24H14N2
Molecular Weight
330.400000
Exact Mass
330.115698
SMILES
C1=CC=C2C(=C1)C3=C4N2C5=CC=CC6=C5C7=C(C4=CC=C3)C=CC=C7N6
InChI
InChI=1S/C24H14N2/c1-2-12-20-14(6-1)16-8-3-9-17-15-7-4-10-18-22(15)23-19(25-18)11-5-13-21(23)26(20)24(16)17/h1-13,25H
InChIKey
BSYDJCGRMQCUHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
26
H-bond acceptors
1
H-bond donors
1
Molar refractivity
110.46
TPSA
20.2

LogP / Solubility

WLOGP
6.47
MLOGP
5.71
XLogP3
6.2
Consensus LogP
6.13
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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