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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
88416-50-6 / disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;tetrahydrate
Basic Information
CAS
88416-50-6
Multi CAS
Yes
Molecular Formula
CH10CL2NA2O10P2
Molecular Weight
360.910000
Exact Mass
359.892165
InChI
InChI=1S/CH4Cl2O6P2.2Na.4H2O/c2-1(3,10(4,5)6)11(7,8)9;;;;;;/h(H2,4,5,6)(H2,7,8,9);;;4*1H2/q;2*+1;;;;/p-2
InChIKey
XWHPUCFOTRBMGS-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.54
TPSA
246.72
LogP / Solubility
WLOGP
-10.12
MLOGP
-8.89
XLogP3
-10.12
Consensus LogP
-9.71
Log S (ESOL)
4.43
Class (ESOL)
Highly soluble
Log S (Ali)
4.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.16
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)
-12.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 155648-60-5
- Product Code: ICTM2360
- Purity/Analytical method: >98.0%(HPLC)
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