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CAS 588698-79-7 N6-Me-rA phosphoramidite molecular structure lightbox
CAS RN: 588698-79-7

N6-Me-rA phosphoramidite

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS588698-79-7
  • Purity/Analytical Methods: >99.0%
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588698-79-7 / 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[6-(methylamino)purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Standard CAS: 588698-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
588698-79-7
Multi CAS
Yes
Molecular Formula
C47H64N7O7PSi
Molecular Weight
898.100000
Exact Mass
897.437411
InChI
InChI=1S/C47H64N7O7PSi/c1-32(2)54(33(3)4)62(58-28-16-27-48)60-41-39(59-45(42(41)61-63(11,12)46(5,6)7)53-31-52-40-43(49-8)50-30-51-44(40)53)29-57-47(34-17-14-13-15-18-34,35-19-23-37(55-9)24-20-35)36-21-25-38(56-10)26-22-36/h13-15,17-26,30-33,39,41-42,45H,16,28-29H2,1-12H3,(H,49,50,51)/t39-,41-,42-,45-,62?/m1/s1
InChIKey
GPLFLRPEMRRWIR-UTZPQXNGSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Aromatic heavy atom count
27
Fraction Csp3
0.49
Rotatable bonds
20
H-bond acceptors
14
H-bond donors
1
Molar refractivity
249.2
TPSA
147.27

LogP / Solubility

WLOGP
9.84
MLOGP
8.75
XLogP3
9.84
Consensus LogP
9.48
Log S (ESOL)
-10.61
Class (ESOL)
Insoluble
Log S (Ali)
-14.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.07
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)
-1.21

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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