CAS RN: 52542-80-0
Sodium (Trihydroxy)phenylborate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-159657
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: ≥98%
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
52542-80-0 / sodium trihydroxy(phenyl)boranuide
Basic Information
CAS
52542-80-0
Multi CAS
No
Molecular Formula
C6H8BNAO3
Molecular Weight
161.930000
Exact Mass
162.046419
InChI
InChI=1S/C6H8BO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5,8-10H;/q-1;+1
InChIKey
ZNXSFEXRXNJDNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.49
TPSA
60.69
LogP / Solubility
WLOGP
-4.19
MLOGP
-3.69
XLogP3
-4.19
Consensus LogP
-4.02
Log S (ESOL)
1.46
Class (ESOL)
Highly soluble
Log S (Ali)
2.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.64
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)
-6.68
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
