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CAS 380482-30-4 2,9-Dimethyl-5-picrylamino-1,10-phenanthroline molecular structure lightbox
CAS RN: 380482-30-4

2,9-Dimethyl-5-picrylamino-1,10-phenanthroline

Product Availability

Available package options are listed below.

1 package records1 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260626 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTD2583
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380482-30-4 / 2,9-dimethyl-N-(2,4,6-trinitrophenyl)-1,10-phenanthrolin-5-amine

Standard CAS: 380482-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380482-30-4
Multi CAS
No
Molecular Formula
C20H14N6O6
Molecular Weight
434.400000
Exact Mass
434.097482
InChI
InChI=1S/C20H14N6O6/c1-10-3-5-12-7-15(14-6-4-11(2)22-19(14)18(12)21-10)23-20-16(25(29)30)8-13(24(27)28)9-17(20)26(31)32/h3-9,23H,1-2H3
InChIKey
YMWCRDXLDDCILP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
20
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
1
Molar refractivity
116.21
TPSA
167.23

LogP / Solubility

WLOGP
4.87
MLOGP
4.31
XLogP3
4.8
Consensus LogP
4.66
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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