CAS RN: 2183-17-7
ALPHA-NAPHTHYL PHOSPHATE DISODIUM SALT
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS2183-17-7
- Purity/Analytical Methods: >99.0%
2183-17-7 / disodium;naphthalen-1-yl phosphate
Basic Information
CAS
2183-17-7
Multi CAS
No
Molecular Formula
C10H7Na2O4P
Molecular Weight
268.110000
Exact Mass
267.987734
SMILES
C1=CC=C2C(=C1)C=CC=C2OP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2
InChIKey
QYURIFWAOPAPAJ-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.18
TPSA
72.42
LogP / Solubility
WLOGP
-4.94
MLOGP
-4.34
XLogP3
-4.94
Consensus LogP
-4.74
Log S (ESOL)
1.31
Class (ESOL)
Highly soluble
Log S (Ali)
1.81
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.46
Class (SILICOS-IT)
Highly 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)
-7.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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