CAS RN: 6369-32-0
Acid Anthracene Brown PG
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260618 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTA0664
6369-32-0 / disodium;2-[(7-anilino-1-oxido-3-sulfonaphthalen-2-yl)diazenyl]benzoate
Basic Information
CAS
6369-32-0
Multi CAS
Yes
Molecular Formula
C23H15N3NA2O6S
Molecular Weight
507.400000
Exact Mass
507.047695
InChI
InChI=1S/C23H17N3O6S.2Na/c27-22-18-13-16(24-15-6-2-1-3-7-15)11-10-14(18)12-20(33(30,31)32)21(22)26-25-19-9-5-4-8-17(19)23(28)29;;/h1-13,24,27H,(H,28,29)(H,30,31,32);;/q;2*+1/p-2
InChIKey
LVOFSWXWJSVXOA-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
22
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
117.88
TPSA
154.31
LogP / Solubility
WLOGP
-2.31
MLOGP
-2
XLogP3
-2.31
Consensus LogP
-2.21
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-7.46
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
3
