![CAS 1337482-17-3 L-Alanine, N-[(S)-hydroxyphenoxyphosphinyl]-, 1-Methylethyl ester, (P→3′),(P’→5′)-diester with (2’R)-2′-deoxy-2′-fluoro-2′-Methyluridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1337482-17-3.gif)
CAS RN: 1337482-17-3
L-Alanine, N-[(S)-hydroxyphenoxyphosphinyl]-, 1-Methylethyl ester, (P→3′),(P’→5′)-diester with (2’R)-2′-deoxy-2′-fluoro-2′-Methyluridine
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.20250921 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1337482-17-3
- Purity/Analytical Methods: >99.0%
1337482-17-3 / propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyl-3-[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Basic Information
CAS
1337482-17-3
Multi CAS
No
Molecular Formula
C34H45FN4O13P2
Molecular Weight
798.700000
Exact Mass
798.244240
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)F)OP(=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C34H45FN4O13P2/c1-21(2)47-30(41)23(5)37-53(44,50-25-14-10-8-11-15-25)46-20-27-29(34(7,35)32(49-27)39-19-18-28(40)36-33(39)43)52-54(45,51-26-16-12-9-13-17-26)38-24(6)31(42)48-22(3)4/h8-19,21-24,27,29,32H,20H2,1-7H3,(H,37,44)(H,38,45)(H,36,40,43)/t23-,24-,27+,29+,32+,34+,53?,54?/m0/s1
InChIKey
WVORGVRHMQFKTN-ACVYKXDBSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
18
Fraction Csp3
0.47
Rotatable bonds
18
H-bond acceptors
14
H-bond donors
3
Molar refractivity
192.58
TPSA
211.81
LogP / Solubility
WLOGP
4.8
MLOGP
4.29
XLogP3
3.6
Consensus LogP
4.23
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-9.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.19
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
8.5
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