CAS RN: 51321-79-0
Sparfosic
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.20260604 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS51321-79-0
- Purity/Analytical Methods: >99.0%
51321-79-0 / 2-[(2-phosphonoacetyl)amino]butanedioic acid
Basic Information
CAS
51321-79-0
Multi CAS
Yes
Molecular Formula
C6H10NO8P
Molecular Weight
255.120000
Exact Mass
255.014403
InChI
InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1
InChIKey
ZZKNRXZVGOYGJT-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
5
Molar refractivity
48.73
TPSA
161.23
LogP / Solubility
WLOGP
-1.79
MLOGP
-1.57
XLogP3
-3.1
Consensus LogP
-2.15
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-5.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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- CAS RN: 51332-24-2
- Product Code: starshine_CAS51332-24-2
- Purity/Analytical method: >99.0%
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