CAS RN: 32752-10-6

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Batchno.20250811 100mg In stock Inquiry
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  • Product code: starshine_CAS32752-10-6
  • Purity/Analytical Methods: >99.0%
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32752-10-6 / potassium 6-(4-methylanilino)naphthalene-2-sulfonate

Standard CAS: 32752-10-6 Multi CAS: Yes

Basic Information

CAS
32752-10-6
Multi CAS
Yes
Molecular Formula
C17H14KNO3S
Molecular Weight
351.500000
Exact Mass
351.033146
InChI
InChI=1S/C17H15NO3S.K/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1
InChIKey
GVDCHDBOXJUSDZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.37
TPSA
69.23

LogP / Solubility

WLOGP
0.8
MLOGP
0.72
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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