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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
66508-37-0 / sodium 3-[formyl(hydroxy)amino]propyl-hydroxyphosphinate
Basic Information
CAS
66508-37-0
Multi CAS
Yes
Molecular Formula
C4H9NNAO5P
Molecular Weight
205.080000
Exact Mass
205.011604
InChI
InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1
InChIKey
ZZPUYRHMTGOTEU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.87
TPSA
100.9
LogP / Solubility
WLOGP
-4.23
MLOGP
-3.72
XLogP3
-4.23
Consensus LogP
-4.06
Log S (ESOL)
1.88
Class (ESOL)
Highly soluble
Log S (Ali)
1.81
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.91
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)
-6.97
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
2
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![CAS 66512-37-6 R(+)-TRANS[ETHOXY CARBONYLMETHYL]-1-PHENYLETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66512-37-6.gif)
