![CAS 155831-90-6 2′-O-T-BUTYLDIMETHYLSILYL-3′-O-[(DIISOPROPYLAMINO)(2-CYANOETHOXY)PHOSPHINO]-5′-O-(4,4′-DIMETHOXYTRITYL)-2(1H)-PYRIMIDINONE-1-BETA-D-RIBOSIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/155831-90-6.gif)
CAS RN: 155831-90-6
2′-O-T-BUTYLDIMETHYLSILYL-3′-O-[(DIISOPROPYLAMINO)(2-CYANOETHOXY)PHOSPHINO]-5′-O-(4,4′-DIMETHOXYTRITYL)-2(1H)-PYRIMIDINONE-1-BETA-D-RIBOSIDE
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.20250730 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS155831-90-6
- Purity/Analytical Methods: >99.0%
155831-90-6 / 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
155831-90-6
Multi CAS
No
Molecular Formula
C45H61N4O8PSi
Molecular Weight
845.000000
Exact Mass
844.399628
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC=NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C45H61N4O8PSi/c1-32(2)49(33(3)4)58(54-30-15-27-46)56-40-39(55-42(48-29-16-28-47-43(48)50)41(40)57-59(10,11)44(5,6)7)31-53-45(34-17-13-12-14-18-34,35-19-23-37(51-8)24-20-35)36-21-25-38(52-9)26-22-36/h12-14,16-26,28-29,32-33,39-42H,15,30-31H2,1-11H3/t39-,40-,41-,42-,58?/m1/s1
InChIKey
UEUDLVPTCOPGMZ-MGVQLQBBSA-N
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
24
Fraction Csp3
0.49
Rotatable bonds
19
H-bond acceptors
12
Molar refractivity
232.83
TPSA
126.53
LogP / Solubility
WLOGP
9.22
MLOGP
8.19
XLogP3
9.22
Consensus LogP
8.88
Log S (ESOL)
-9.93
Class (ESOL)
Insoluble
Log S (Ali)
-13.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.08
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)
-1.33
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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