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CAS 608527-58-8 N3,N3,N6,N6-tetraphenyl-9H-carbazole-3,6-diamine molecular structure lightbox
CAS RN: 608527-58-8

N3,N3,N6,N6-tetraphenyl-9H-carbazole-3,6-diamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250413 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS608527-58-8
  • Purity/Analytical Methods: >99.0%
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608527-58-8 / 3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine

Standard CAS: 608527-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
608527-58-8
Multi CAS
No
Molecular Formula
C36H27N3
Molecular Weight
501.600000
Exact Mass
501.220498
InChI
InChI=1S/C36H27N3/c1-5-13-27(14-6-1)38(28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)37-35)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,37H
InChIKey
GDKWMINSMJKPRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
37
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
165.17
TPSA
22.27

LogP / Solubility

WLOGP
10.26
MLOGP
9.07
XLogP3
9.9
Consensus LogP
9.74
Log S (ESOL)
-9.72
Class (ESOL)
Insoluble
Log S (Ali)
-11.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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