![CAS 149989-66-2 5′-O-(4,4-Dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]cytidine-3′-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149989-66-2.gif)
CAS RN: 149989-66-2
5′-O-(4,4-Dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]cytidine-3′-(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.20250126 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS149989-66-2
- Purity/Analytical Methods: >99.0%
149989-66-2 / N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(4-tert-butylphenoxy)acetamide
Basic Information
CAS
149989-66-2
Multi CAS
No
Molecular Formula
C57H76N5O10PSi
Molecular Weight
1050.300000
Exact Mass
1049.509907
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)NC(=O)COC3=CC=C(C=C3)C(C)(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI
InChI=1S/C57H76N5O10PSi/c1-39(2)62(40(3)4)73(69-36-18-34-58)71-51-48(37-68-57(42-19-16-15-17-20-42,43-23-27-45(65-11)28-24-43)44-25-29-46(66-12)30-26-44)70-53(52(51)72-74(13,14)56(8,9)10)61-35-33-49(60-54(61)64)59-50(63)38-67-47-31-21-41(22-32-47)55(5,6)7/h15-17,19-33,35,39-40,48,51-53H,18,36-38H2,1-14H3,(H,59,60,63,64)/t48-,51-,52-,53-,73?/m1/s1
InChIKey
FAODNIJMAKFTFL-WSFKJFENSA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Aromatic heavy atom count
30
Fraction Csp3
0.47
Rotatable bonds
23
H-bond acceptors
14
H-bond donors
1
Molar refractivity
292.09
TPSA
164.86
LogP / Solubility
WLOGP
11.53
MLOGP
10.25
XLogP3
11.53
Consensus LogP
11.1
Log S (ESOL)
-12.4
Class (ESOL)
Insoluble
Log S (Ali)
-16.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.82
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)
-0.94
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
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