CAS RN: 195375-66-7
N2-isobutyryl-3′-(trityl)amino-2′, 3′-dideoxyguanosine-5′-cyanoethyl 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.20250210 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS195375-66-7
- Purity/Analytical Methods: >99.0%
195375-66-7 / N-[9-[(2R,4S,5S)-5-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Basic Information
CAS
195375-66-7
Multi CAS
No
Molecular Formula
C42H51N8O5P
Molecular Weight
778.900000
Exact Mass
778.372004
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COP(N(C(C)C)C(C)C)OCCC#N)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C42H51N8O5P/c1-28(2)39(51)46-41-45-38-37(40(52)47-41)44-27-49(38)36-25-34(35(55-36)26-54-56(53-24-16-23-43)50(29(3)4)30(5)6)48-42(31-17-10-7-11-18-31,32-19-12-8-13-20-32)33-21-14-9-15-22-33/h7-15,17-22,27-30,34-36,48H,16,24-26H2,1-6H3,(H2,45,46,47,51,52)
InChIKey
USNNKXWWDUBLFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
27
Fraction Csp3
0.4
Rotatable bonds
17
H-bond acceptors
11
H-bond donors
3
Molar refractivity
217.44
TPSA
159.42
LogP / Solubility
WLOGP
7.24
MLOGP
6.44
XLogP3
5.8
Consensus LogP
6.49
Log S (ESOL)
-8.47
Class (ESOL)
Insoluble
Log S (Ali)
-11.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
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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