![CAS 129451-77-0 5′-O-(4,4′-DiMethoxy)- 3′-O-(t-butyldiMethylsilyl) uridine, 2′-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoraMidite molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129451-77-0.gif)
CAS RN: 129451-77-0
5′-O-(4,4′-DiMethoxy)- 3′-O-(t-butyldiMethylsilyl) uridine, 2′-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoraMidite
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.20260601 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS129451-77-0
- Purity/Analytical Methods: >99.0%
129451-77-0 / 3-[[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
129451-77-0
Multi CAS
No
Molecular Formula
C45H61N4O9PSi
Molecular Weight
861.000000
Exact Mass
860.394543
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C45H61N4O9PSi/c1-31(2)49(32(3)4)59(55-29-15-27-46)57-41-40(58-60(10,11)44(5,6)7)38(56-42(41)48-28-26-39(50)47-43(48)51)30-54-45(33-16-13-12-14-17-33,34-18-22-36(52-8)23-19-34)35-20-24-37(53-9)25-21-35/h12-14,16-26,28,31-32,38,40-42H,15,29-30H2,1-11H3,(H,47,50,51)/t38-,40-,41-,42-,59?/m1/s1
InChIKey
UZVSHRLVIXPYEZ-ZMHKPELYSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
24
Fraction Csp3
0.49
Rotatable bonds
19
H-bond acceptors
12
H-bond donors
1
Molar refractivity
235.65
TPSA
146.5
LogP / Solubility
WLOGP
8.51
MLOGP
7.57
XLogP3
8.51
Consensus LogP
8.2
Log S (ESOL)
-9.58
Class (ESOL)
Insoluble
Log S (Ali)
-12.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.93
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
7.5
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