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CAS 84077-81-6 2,2-DI(4-TERT-OCTYLPHENYL)-1-PICRYL-HYDRAZYL, FREE RADICAL molecular structure lightbox
CAS RN: 84077-81-6

2,2-DI(4-TERT-OCTYLPHENYL)-1-PICRYL-HYDRAZYL, FREE RADICAL

Product Availability

Available package options are listed below.

2 package records2 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100mg In stock Shandong, Hebei Inquiry
Batchno.20260314 25mg In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS84077-81-6
  • Purity/Analytical Methods: >99.0%
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84077-81-6 / 2,2-DI(4-TERT-OCTYLPHENYL)-1-PICRYL-HYDRAZYL, FREE RADICAL

Standard CAS: 84077-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84077-81-6
Multi CAS
Yes
Molecular Formula
C34H44N5O6
Molecular Weight
618.700000
Exact Mass
618.329159
InChI
InChI=1S/C34H44N5O6/c1-31(2,3)21-33(7,8)23-11-15-25(16-12-23)36(26-17-13-24(14-18-26)34(9,10)22-32(4,5)6)35-30-28(38(42)43)19-27(37(40)41)20-29(30)39(44)45/h11-20H,21-22H2,1-10H3
InChIKey
CLOCMRDQPYXVKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.47
Rotatable bonds
11
H-bond acceptors
7
Molar refractivity
177.42
TPSA
146.76

LogP / Solubility

WLOGP
9.83
MLOGP
8.7
XLogP3
12.3
Consensus LogP
10.28
Log S (ESOL)
-9.44
Class (ESOL)
Insoluble
Log S (Ali)
-11.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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