CAS RN: 26647-82-5
Succinyl phosphonate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260303 | 2mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS26647-82-5
- Purity/Analytical Methods: >99.0%
26647-82-5 / 4-oxo-4-phosphonobutanoic acid
Basic Information
CAS
26647-82-5
Multi CAS
Yes
Molecular Formula
C4H7O6P
Molecular Weight
182.070000
Exact Mass
181.998025
InChI
InChI=1S/C4H7O6P/c5-3(6)1-2-4(7)11(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)
InChIKey
XUHDEWZJMFKPOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
33.92
TPSA
111.9
LogP / Solubility
WLOGP
-0.44
MLOGP
-0.39
XLogP3
-2.4
Consensus LogP
-1.08
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-4.15
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
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