CAS RN: 1337482-15-1
Sofosbuvir IMpurity C
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.20251129 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1337482-15-1
- Purity/Analytical Methods: >99.0%
1337482-15-1 / propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-phenoxyphosphoryl]amino]propanoate
Basic Information
CAS
1337482-15-1
Multi CAS
No
Molecular Formula
C22H29FN3O9P
Molecular Weight
529.500000
Exact Mass
529.162545
SMILES
C[C@@H](C(=O)OC(C)C)NP(=O)(O[C@@H]1[C@H](O[C@H]([C@]1(C)F)N2C=CC(=O)NC2=O)CO)OC3=CC=CC=C3
InChI
InChI=1S/C22H29FN3O9P/c1-13(2)32-19(29)14(3)25-36(31,34-15-8-6-5-7-9-15)35-18-16(12-27)33-20(22(18,4)23)26-11-10-17(28)24-21(26)30/h5-11,13-14,16,18,20,27H,12H2,1-4H3,(H,25,31)(H,24,28,30)/t14-,16+,18+,20+,22+,36?/m0/s1
InChIKey
IBMLPFZASPUMOW-IAAJYNJHSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
3
Molar refractivity
125.21
TPSA
158.18
LogP / Solubility
WLOGP
1.66
MLOGP
1.5
XLogP3
1
Consensus LogP
1.39
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.77
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
7
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