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CAS 62298-42-4 AZURE B EOSINATE PRACTICAL GRADE molecular structure lightbox
CAS RN: 62298-42-4

AZURE B EOSINATE PRACTICAL GRADE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS62298-42-4
  • Purity/Analytical Methods: >99.0%
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62298-42-4 / bis(dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium);2',4',5',7'-tetrabromo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

Standard CAS: 62298-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62298-42-4
Multi CAS
Yes
Molecular Formula
C50H38BR4N6O5S2
Molecular Weight
1186.600000
Exact Mass
1185.903760
InChI
InChI=1S/C20H8Br4O5.2C15H15N3S/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;2*1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12/h1-6,25-26H;2*4-9H,1-3H3
InChIKey
NCBQBFXQRBYYGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
46
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
11
H-bond donors
2
Molar refractivity
280.2
TPSA
137.51

LogP / Solubility

WLOGP
10.4
MLOGP
9.27
XLogP3
10.4
Consensus LogP
10.02
Log S (ESOL)
-14.13
Class (ESOL)
Insoluble
Log S (Ali)
-16.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.25
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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