CAS RN: 2095551-10-1
Sofosbuvir impurity M
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.20260109 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2095551-10-1
- Purity/Analytical Methods: >99.0%
2095551-10-1 / propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Basic Information
CAS
2095551-10-1
Multi CAS
No
Molecular Formula
C22H30N3O10P
Molecular Weight
527.500000
Exact Mass
527.166881
SMILES
C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)O)O)OC3=CC=CC=C3
InChI
InChI=1S/C22H30N3O10P/c1-13(2)33-19(28)14(3)24-36(31,35-15-8-6-5-7-9-15)32-12-16-18(27)22(4,30)20(34-16)25-11-10-17(26)23-21(25)29/h5-11,13-14,16,18,20,27,30H,12H2,1-4H3,(H,24,31)(H,23,26,29)/t14-,16+,18+,20+,22-,36?/m0/s1
InChIKey
WAKQLZVLNOKKHE-YMGVOGLASA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
4
Molar refractivity
126.32
TPSA
178.41
LogP / Solubility
WLOGP
0.68
MLOGP
0.64
Consensus LogP
0.44
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.46
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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