![CAS 171486-61-6 N2-iso-Butyroyl-5′-O-(4,4′-dimethoxytrityl)-2′-O-propargyl guanosine-3′-O-[(2-cyanoethyl)-(N,N-diisopropyl)]phosphoramidite molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171486-61-6.gif)
CAS RN: 171486-61-6
N2-iso-Butyroyl-5′-O-(4,4′-dimethoxytrityl)-2′-O-propargyl guanosine-3′-O-[(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.20260321 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS171486-61-6
- Purity/Analytical Methods: >99.0%
171486-61-6 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-prop-2-ynoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Basic Information
CAS
171486-61-6
Multi CAS
No
Molecular Formula
C47H56N7O9P
Molecular Weight
894.000000
Exact Mass
893.387713
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OCC#C
InChI
InChI=1S/C47H56N7O9P/c1-10-26-59-41-40(63-64(61-27-14-25-48)54(31(4)5)32(6)7)38(62-45(41)53-29-49-39-42(53)50-46(52-44(39)56)51-43(55)30(2)3)28-60-47(33-15-12-11-13-16-33,34-17-21-36(57-8)22-18-34)35-19-23-37(58-9)24-20-35/h1,11-13,15-24,29-32,38,40-41,45H,14,26-28H2,2-9H3,(H2,50,51,52,55,56)/t38-,40-,41-,45-,64?/m1/s1
InChIKey
AGWGPRXHCUPJJO-VCGWOZLGSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
27
Fraction Csp3
0.43
Rotatable bonds
21
H-bond acceptors
14
H-bond donors
2
Molar refractivity
242.45
TPSA
184.31
LogP / Solubility
WLOGP
7.32
MLOGP
6.52
XLogP3
5.7
Consensus LogP
6.51
Log S (ESOL)
-8.92
Class (ESOL)
Insoluble
Log S (Ali)
-12.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.06
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)
-2.98
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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