CAS RN: 70962-66-2
Sparfosic acid trisodium
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS70962-66-2
- Purity/Analytical Methods: >99.0%
70962-66-2 / N-[3-(3-chlorophenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
Basic Information
CAS
70962-66-2
Multi CAS
Yes
Molecular Formula
C18H14CLN5O6
Molecular Weight
431.800000
Exact Mass
431.063261
InChI
InChI=1S/C6H10NO8P.3Na/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);;;/q;3*+1/p-3/t3-;;;/m0.../s1
InChIKey
LKLUEGVLTGGBIX-LHWPGRLPSA-K
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
106.87
TPSA
142.43
LogP / Solubility
WLOGP
4.09
MLOGP
3.63
XLogP3
3.8
Consensus LogP
3.84
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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