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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
6152-33-6 / sodium;2-phenylphenolate;tetrahydrate
Basic Information
CAS
6152-33-6
Multi CAS
Yes
Molecular Formula
C12H17NAO5
Molecular Weight
264.250000
Exact Mass
264.097368
InChI
InChI=1S/C12H10O.Na.4H2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;;/h1-9,13H;;4*1H2/q;+1;;;;/p-1
InChIKey
SEVSIOOUCUTMMP-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
4
Molar refractivity
65.78
TPSA
149.06
LogP / Solubility
WLOGP
-3.87
MLOGP
-3.4
XLogP3
-3.87
Consensus LogP
-3.71
Log S (ESOL)
0.53
Class (ESOL)
Highly soluble
Log S (Ali)
1.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.71
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)
-7.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
