CAS RN: 944138-03-8

2′-O-[(tert-butyl)dimethylsilyl]-N-acetylguanosine-3′-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite

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Batchno.20250301 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS944138-03-8
  • Purity/Analytical Methods: >99.0%
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944138-03-8 / 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]acetamide

Standard CAS: 944138-03-8 Multi CAS: Yes

Basic Information

CAS
944138-03-8
Multi CAS
Yes
Molecular Formula
C48H64N7O9PSi
Molecular Weight
942.100000
Exact Mass
941.427240
InChI
InChI=1S/C48H64N7O9PSi/c1-31(2)55(32(3)4)65(61-28-16-27-49)63-41-39(29-60-48(34-17-14-13-15-18-34,35-19-23-37(58-9)24-20-35)36-21-25-38(59-10)26-22-36)62-45(42(41)64-66(11,12)47(6,7)8)54-30-50-40-43(54)52-46(51-33(5)56)53-44(40)57/h13-15,17-26,30-32,39,41-42,45H,16,28-29H2,1-12H3,(H2,51,52,53,56,57)/t39-,41-,42-,45-,65-/m1/s1
InChIKey
DGDYJRDKFZTURB-WUYIOLTESA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Aromatic heavy atom count
27
Fraction Csp3
0.48
Rotatable bonds
20
H-bond acceptors
14
H-bond donors
2
Molar refractivity
256.78
TPSA
184.31

LogP / Solubility

WLOGP
9.05
MLOGP
8.06
XLogP3
9.05
Consensus LogP
8.72
Log S (ESOL)
-10.37
Class (ESOL)
Insoluble
Log S (Ali)
-13.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.7
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)
-2.04

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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