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CAS 207569-06-0 Disodium 1-Naphthyl Phosphate Hydrate [Substrate for Phosphatase] molecular structure lightbox
CAS RN: 207569-06-0

Disodium 1-Naphthyl Phosphate Hydrate [Substrate for Phosphatase]

  • Product code: SSC-097695
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 207569-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

207569-06-0 / disodium;naphthalen-1-yl phosphate;hydrate

Standard CAS: 207569-06-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207569-06-0
Multi CAS
No
Molecular Formula
C10H9Na2O5P
Molecular Weight
286.130000
Exact Mass
285.998299
SMILES
C1=CC=C2C(=C1)C=CC=C2OP(=O)([O-])[O-].O.[Na+].[Na+]
InChI
InChI=1S/C10H9O4P.2Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,(H2,11,12,13);;;1H2/q;2*+1;/p-2
InChIKey
RJJPCVOIUDUWLF-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.8
TPSA
103.92

LogP / Solubility

WLOGP
-5.77
MLOGP
-5.07
XLogP3
-5.77
Consensus LogP
-5.54
Log S (ESOL)
1.74
Class (ESOL)
Highly soluble
Log S (Ali)
2.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.03
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)
-8.56

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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