CAS RN: 1092934-19-4
Dipotassium (R)-1,1′-Binaphthyl-2,2′-disulfonate
Product Availability
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2 package records1 with current stock1 grade group
- Product code: ICTD4445
- Purity/Analytical Methods: >98.0%(HPLC)
1092934-19-4 / dipotassium;1-(2-sulfonatonaphthalen-1-yl)naphthalene-2-sulfonate
Dipotassium (R)-1,1'-Binaphthyl-2,2'-disulfonate | (R)-BINSA Dipotassium Salt | MFCD28386102
Basic Information
CAS
1092934-19-4
Multi CAS
Yes
Molecular Formula
C20H12K2O6S2
Molecular Weight
490.600000
Exact Mass
489.934943
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
InChI
InChI=1S/C20H14O6S2.2K/c21-27(22,23)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(24,25)26;;/h1-12H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChIKey
ALWKFXOUXLSOSQ-UHFFFAOYSA-L
Synonyms
Dipotassium (R)-1,1'-Binaphthyl-2,2'-disulfonate
(R)-BINSA Dipotassium Salt
MFCD28386102
dipotassium;1-(2-sulfonatonaphthalen-1-yl)naphthalene-2-sulfonate
SCHEMBL3628026
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
102.82
TPSA
114.4
LogP / Solubility
WLOGP
-2.52
MLOGP
-2.19
XLogP3
-2.52
Consensus LogP
-2.41
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-7.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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