CAS RN: 129451-75-8
3′-TBDMS-Bz-rA Phosphoramidite
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS129451-75-8
- Purity/Analytical Methods: >99.0%
129451-75-8 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide
Basic Information
CAS
129451-75-8
Multi CAS
No
Molecular Formula
C53H66N7O8PSi
Molecular Weight
988.200000
Exact Mass
987.447976
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-47-46(68-70(10,11)52(5,6)7)44(66-51(47)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38)33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40)41-25-29-43(63-9)30-26-41/h12-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1
InChIKey
HRYAQLIYKSXPET-RFMFGJHUSA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
33
Fraction Csp3
0.42
Rotatable bonds
21
H-bond acceptors
14
H-bond donors
1
Molar refractivity
274.05
TPSA
164.34
LogP / Solubility
WLOGP
11.05
MLOGP
9.82
XLogP3
11.05
Consensus LogP
10.64
Log S (ESOL)
-11.89
Class (ESOL)
Insoluble
Log S (Ali)
-15.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.78
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)
-0.9
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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