CAS RN: 500363-63-3
NSC117079
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS500363-63-3
- Purity/Analytical Methods: >99.0%
500363-63-3 / 1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid
Basic Information
CAS
500363-63-3
Multi CAS
No
Molecular Formula
C20H15N3O7S2
Molecular Weight
473.500000
Exact Mass
473.035142
InChI
InChI=1S/C20H15N3O7S2/c21-18-15(32(28,29)30)9-14(23-10-4-3-5-11(8-10)31(22,26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)(H,28,29,30)
InChIKey
LHSBZAWDPSTOEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
115.07
TPSA
186.72
LogP / Solubility
WLOGP
1.68
MLOGP
1.51
XLogP3
2.1
Consensus LogP
1.76
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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