CAS RN: 20324-87-2
Disodium 7,7′-(carbonyldiimino)bis(4-hydroxynaphthalene-2-sulphonate)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260511 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20324-87-2
- Purity/Analytical Methods: >99.0%
20324-87-2 / disodium;4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonate
Basic Information
CAS
20324-87-2
Multi CAS
No
Molecular Formula
C21H14N2Na2O9S2
Molecular Weight
548.500000
Exact Mass
547.993611
SMILES
C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C21H16N2O9S2.2Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChIKey
MOUNHKKCIGVIDI-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
119.79
TPSA
195.99
LogP / Solubility
WLOGP
-3.14
MLOGP
-2.72
XLogP3
-3.14
Consensus LogP
-3
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 119 of 119 companies. For more detailed information, please visit ECHA C&L website.
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