CAS RN: 156150-40-2
SODIUM PHENOLATE TRIHYDRATE
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260211 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | 5-7 business days | Inquiry |
- Product code: starshine_CAS156150-40-2
- Purity/Analytical Methods: >99.0%
156150-40-2 / sodium;phenoxide;trihydrate
Basic Information
CAS
156150-40-2
Multi CAS
No
Molecular Formula
C6H11NaO4
Molecular Weight
170.140000
Exact Mass
170.055503
SMILES
C1=CC=C(C=C1)[O-].O.O.O.[Na+]
InChI
InChI=1S/C6H6O.Na.3H2O/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;3*1H2/q;+1;;;/p-1
InChIKey
QAJGUMORHHJFNJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
3
Molar refractivity
36.73
TPSA
117.56
LogP / Solubility
WLOGP
-4.71
MLOGP
-4.15
XLogP3
-4.71
Consensus LogP
-4.52
Log S (ESOL)
1.67
Class (ESOL)
Highly soluble
Log S (Ali)
2.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.14
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)
-7.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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