CAS RN: 825652-02-6
Sodium 6-hydroxynaphthalene-2-sulfonate hydrate(1:1:x)
- Product code: SSC-190671
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: 100g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
825652-02-6 / sodium;6-hydroxynaphthalene-2-sulfonate;hydrate
Basic Information
CAS
825652-02-6
Multi CAS
Yes
Molecular Formula
C10H9NAO5S
Molecular Weight
264.230000
Exact Mass
264.006839
InChI
InChI=1S/C10H8O4S.Na.H2O/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;;/h1-6,11H,(H,12,13,14);;1H2/q;+1;/p-1
InChIKey
QHVRFNCHOMKXQP-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.19
TPSA
108.93
LogP / Solubility
WLOGP
-2.37
MLOGP
-2.08
XLogP3
-2.37
Consensus LogP
-2.27
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.47
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)
-6.02
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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