CAS RN: 67952-32-3
Isopropanolamine Phosphate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-177692
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
67952-32-3 / bis(1-aminopropan-2-ol);phosphoric acid
Basic Information
CAS
67952-32-3
Multi CAS
Yes
Molecular Formula
C6H21N2O6P
Molecular Weight
248.210000
Exact Mass
248.113723
InChI
InChI=1S/2C3H9NO.H3O4P/c2*1-3(5)2-4;1-5(2,3)4/h2*3,5H,2,4H2,1H3;(H3,1,2,3,4)
InChIKey
BWTZLPQTAVBQIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
7
Molar refractivity
55.73
TPSA
170.26
LogP / Solubility
WLOGP
-2.28
MLOGP
-2
XLogP3
-2.28
Consensus LogP
-2.19
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.38
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)
-5.85
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
