CAS RN: 63995-75-5
Sodium Diphenylphosphinobenzene-3-sulfonate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251007 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260312 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250625 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260211 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250515 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250217 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTD2043
- Purity/Analytical Methods: >90.0%(T)
63995-75-5 / sodium 3-diphenylphosphanylbenzenesulfonate
Basic Information
CAS
63995-75-5
Multi CAS
Yes
Molecular Formula
C18H14NAO3PS
Molecular Weight
364.300000
Exact Mass
364.029897
InChI
InChI=1S/C18H15O3PS.Na/c19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;/h1-14H,(H,19,20,21);/q;+1/p-1
InChIKey
NTUROZDXWLPVHB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
93.11
TPSA
57.2
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.55
XLogP3
-0.65
Consensus LogP
-0.62
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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