CAS RN: 555-06-6
Sodium 4-Aminobenzoate
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250817 | 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251115 | 100g | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20250101 | 2.5kg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260314 | 25g | In stock | Shanghai, Shandong, Hebei | Inquiry | |
| Batchno.20260129 | 500g | In stock | Shanghai, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250812 | 25g | In stock | Inquiry |
- Product code: ICTA0276
- Purity/Analytical Methods: >98.0%(T)(HPLC)
555-06-6 / sodium 4-aminobenzoate
Basic Information
CAS
555-06-6
Multi CAS
Yes
Molecular Formula
C7H6NNAO2
Molecular Weight
159.120000
Exact Mass
159.029623
InChI
InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
InChIKey
XETSAYZRDCRPJY-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.18
TPSA
66.15
LogP / Solubility
WLOGP
-3.36
MLOGP
-2.96
XLogP3
-3.36
Consensus LogP
-3.23
Log S (ESOL)
0.95
Class (ESOL)
Highly soluble
Log S (Ali)
1.56
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.98
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)
-6.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
