CAS RN: 6472-91-9
CHRYSAMINE G
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS6472-91-9
- Purity/Analytical Methods: >99.0%
6472-91-9 / disodium;2-carboxy-4-[[4-[4-[(3-carboxy-4-oxidophenyl)diazenyl]phenyl]phenyl]diazenyl]phenolate
Basic Information
CAS
6472-91-9
Multi CAS
Yes
Molecular Formula
C26H16N4NA2O6
Molecular Weight
526.400000
Exact Mass
526.086523
InChI
InChI=1S/C26H18N4O6.2Na/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36;;/h1-14,31-32H,(H,33,34)(H,35,36);;/q;2*+1/p-2
InChIKey
AZOPGDOIOXKJRA-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
125.92
TPSA
170.16
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.19
XLogP3
-0.26
Consensus LogP
-0.24
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-6.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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