CAS RN: 78510-31-3
1-Amino-4-(4-chlorophenyl)aminoanthraquinone-2-sulfonicacidsodiumsalt
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260129 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS78510-31-3
- Purity/Analytical Methods: >99.0%
78510-31-3 / sodium 1-amino-4-(4-chloroanilino)-9,10-dioxoanthracene-2-sulfonate
Basic Information
CAS
78510-31-3
Multi CAS
Yes
Molecular Formula
C20H12CLN2NAO5S
Molecular Weight
450.800000
Exact Mass
450.005315
InChI
InChI=1S/C20H13ClN2O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-9,23H,22H2,(H,26,27,28);/q;+1/p-1
InChIKey
KINIBOSGQKLOIT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
106.86
TPSA
129.39
LogP / Solubility
WLOGP
0.35
MLOGP
0.34
XLogP3
0.35
Consensus LogP
0.35
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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Hexanoic acid, 6-[(4-Methylbenzoyl)aMino]-
- CAS RN: 78521-43-4
- Product Code: starshine_CAS78521-43-4
- Purity/Analytical method: >99.0%
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![CAS 78521-43-4 Hexanoic acid, 6-[(4-Methylbenzoyl)aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78521-43-4.gif)
