![CAS 166733-98-8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-5-bromo-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/166733-98-8.gif)
CAS RN: 166733-98-8
Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-5-bromo-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)
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.20250422 | 200mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS166733-98-8
- Purity/Analytical Methods: >99.0%
166733-98-8 / 3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
166733-98-8
Multi CAS
No
Molecular Formula
C45H60BrN4O9PSi
Molecular Weight
939.900000
Exact Mass
938.305060
SMILES
CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=C(C(=O)NC2=O)Br)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C45H60BrN4O9PSi/c1-30(2)50(31(3)4)60(56-27-15-26-47)58-39-38(57-42(40(39)59-61(10,11)44(5,6)7)49-28-37(46)41(51)48-43(49)52)29-55-45(32-16-13-12-14-17-32,33-18-22-35(53-8)23-19-33)34-20-24-36(54-9)25-21-34/h12-14,16-25,28,30-31,38-40,42H,15,27,29H2,1-11H3,(H,48,51,52)
InChIKey
URWJXIOFFASYFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
24
Fraction Csp3
0.49
Rotatable bonds
19
H-bond acceptors
12
H-bond donors
1
Molar refractivity
243.35
TPSA
146.5
LogP / Solubility
WLOGP
9.27
MLOGP
8.25
XLogP3
9.27
Consensus LogP
8.93
Log S (ESOL)
-10.55
Class (ESOL)
Insoluble
Log S (Ali)
-13.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.75
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)
-1.87
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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