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CAS 179762-50-6 2′-O-tert-Butyldimethylsilyl-5′-O-DMT-3-methyluridine 3′-CE phosphoramidite molecular structure lightbox
CAS RN: 179762-50-6

2′-O-tert-Butyldimethylsilyl-5′-O-DMT-3-methyluridine 3′-CE phosphoramidite

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS179762-50-6
  • Purity/Analytical Methods: >99.0%
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179762-50-6 / 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Standard CAS: 179762-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179762-50-6
Multi CAS
No
Molecular Formula
C46H63N4O9PSi
Molecular Weight
875.100000
Exact Mass
874.410193
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC(=O)N(C2=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C46H63N4O9PSi/c1-32(2)50(33(3)4)60(56-30-16-28-47)58-41-39(57-43(42(41)59-61(11,12)45(5,6)7)49-29-27-40(51)48(8)44(49)52)31-55-46(34-17-14-13-15-18-34,35-19-23-37(53-9)24-20-35)36-21-25-38(54-10)26-22-36/h13-15,17-27,29,32-33,39,41-43H,16,30-31H2,1-12H3/t39-,41-,42-,43-,60?/m1/s1
InChIKey
BFLRLATZTWPEAW-SRYSXPHVSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
24
Fraction Csp3
0.5
Rotatable bonds
19
H-bond acceptors
13
Molar refractivity
240.27
TPSA
135.64

LogP / Solubility

WLOGP
8.52
MLOGP
7.58
XLogP3
8.52
Consensus LogP
8.21
Log S (ESOL)
-9.67
Class (ESOL)
Insoluble
Log S (Ali)
-12.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.7
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)
-2.01

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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