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CAS 65461-62-3 1,6-DI-(N-CARBAZOLYL)-2,4-HEXADIYNE molecular structure lightbox
CAS RN: 65461-62-3

1,6-DI-(N-CARBAZOLYL)-2,4-HEXADIYNE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65461-62-3
  • Purity/Analytical Methods: >99.0%
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65461-62-3 / 9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole

Standard CAS: 65461-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65461-62-3
Multi CAS
Yes
Molecular Formula
C30H20N2
Molecular Weight
408.500000
Exact Mass
408.162649
InChI
InChI=1S/C30H20N2/c1(11-21-31-27-17-7-3-13-23(27)24-14-4-8-18-28(24)31)2-12-22-32-29-19-9-5-15-25(29)26-16-6-10-20-30(26)32/h3-10,13-20H,21-22H2
InChIKey
BBWSYAHMQJCINP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
26
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
134.44
TPSA
9.86

LogP / Solubility

WLOGP
6.61
MLOGP
5.84
XLogP3
7.1
Consensus LogP
6.52
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
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
Yes
Log Kp (skin permeation)
-0.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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