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CAS 1385826-95-8 9-(3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole molecular structure lightbox
CAS RN: 1385826-95-8

9-(3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1385826-95-8
  • Purity/Analytical Methods: >99.0%
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1385826-95-8 / 9-[3-[4-chloro-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

Standard CAS: 1385826-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1385826-95-8
Multi CAS
No
Molecular Formula
C39H25ClN4
Molecular Weight
585.100000
Exact Mass
584.176775
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)C4=NC(=NC(=N4)Cl)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=CC=CC=C86
InChI
InChI=1S/C39H25ClN4/c40-39-42-37(28-22-20-27(21-23-28)30-13-8-12-29(24-30)26-10-2-1-3-11-26)41-38(43-39)31-14-9-15-32(25-31)44-35-18-6-4-16-33(35)34-17-5-7-19-36(34)44/h1-25H
InChIKey
LNPNTLQWZHXPTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
43
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
180.92
TPSA
43.6

LogP / Solubility

WLOGP
10.29
MLOGP
9.1
XLogP3
10.6
Consensus LogP
10
Log S (ESOL)
-10.34
Class (ESOL)
Insoluble
Log S (Ali)
-11.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.6
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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