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CAS 28198-05-2 Solvent Green 28 molecular structure lightbox
CAS RN: 28198-05-2

Solvent Green 28

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250826 100mg In stock Shanghai Inquiry
Batchno.20250323 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
Batchno.20251220 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS28198-05-2
  • Purity/Analytical Methods: >99.0%
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28198-05-2 / 1,4-bis(4-butylanilino)-5,8-dihydroxyanthracene-9,10-dione

Standard CAS: 28198-05-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28198-05-2
Multi CAS
Yes
Molecular Formula
C34H34N2O4
Molecular Weight
534.600000
Exact Mass
534.251858
InChI
InChI=1S/C34H34N2O4/c1-3-5-7-21-9-13-23(14-10-21)35-25-17-18-26(36-24-15-11-22(12-16-24)8-6-4-2)30-29(25)33(39)31-27(37)19-20-28(38)32(31)34(30)40/h9-20,35-38H,3-8H2,1-2H3
InChIKey
KTEFLEFPDDQMCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
159.75
TPSA
98.66

LogP / Solubility

WLOGP
8.05
MLOGP
7.12
XLogP3
10.1
Consensus LogP
8.42
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-9.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.01
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)
-0.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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