![CAS 149989-68-4 5′-O-(4,4-Dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]guanosine-3′-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149989-68-4.gif)
CAS RN: 149989-68-4
5′-O-(4,4-Dimethoxytrityl)-2′-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]guanosine-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.20250406 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS149989-68-4
- Purity/Analytical Methods: >99.0%
149989-68-4 / N-[9-[(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]-6-oxo-1H-purin-2-yl]-2-(4-tert-butylphenoxy)acetamide
Basic Information
CAS
149989-68-4
Multi CAS
No
Molecular Formula
C58H76N7O10PSi
Molecular Weight
1090.300000
Exact Mass
1089.516055
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=NC3=C2N=C(NC3=O)NC(=O)COC4=CC=C(C=C4)C(C)(C)C)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI
InChI=1S/C58H76N7O10PSi/c1-38(2)65(39(3)4)76(72-34-18-33-59)74-50-47(35-71-58(41-19-16-15-17-20-41,42-23-27-44(68-11)28-24-42)43-25-29-45(69-12)30-26-43)73-54(51(50)75-77(13,14)57(8,9)10)64-37-60-49-52(64)62-55(63-53(49)67)61-48(66)36-70-46-31-21-40(22-32-46)56(5,6)7/h15-17,19-32,37-39,47,50-51,54H,18,34-36H2,1-14H3,(H2,61,62,63,66,67)/t47-,50-,51-,54-,76?/m1/s1
InChIKey
ODCBQUOWLVQKQG-PZUNXSRFSA-N
Computed Properties
Structural Parameters
Heavy atom count
77
Aromatic heavy atom count
33
Fraction Csp3
0.47
Rotatable bonds
23
H-bond acceptors
15
H-bond donors
2
Molar refractivity
301.75
TPSA
193.54
LogP / Solubility
WLOGP
11.41
MLOGP
10.15
XLogP3
11.41
Consensus LogP
10.99
Log S (ESOL)
-12.59
Class (ESOL)
Insoluble
Log S (Ali)
-16.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.98
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)
-1.27
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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