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CAS 85326-10-9 N-Isobutyryl-5′-O-tert-butyldiMethylsilyl-2′-deoxyguanosine molecular structure lightbox
CAS RN: 85326-10-9

N-Isobutyryl-5′-O-tert-butyldiMethylsilyl-2′-deoxyguanosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS85326-10-9
  • Purity/Analytical Methods: >99.0%
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85326-10-9 / N-[9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

Standard CAS: 85326-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85326-10-9
Multi CAS
Yes
Molecular Formula
C20H33N5O5Si
Molecular Weight
451.600000
Exact Mass
451.225096
InChI
InChI=1S/C20H33N5O5Si/c1-11(2)17(27)23-19-22-16-15(18(28)24-19)21-10-25(16)14-8-12(26)13(30-14)9-29-31(6,7)20(3,4)5/h10-14,26H,8-9H2,1-7H3,(H2,22,23,24,27,28)/t12-,13+,14+/m0/s1
InChIKey
WZQWRHWLQPEBFF-BFHYXJOUSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
9
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
119.3
TPSA
131.36

LogP / Solubility

WLOGP
2.38
MLOGP
2.13
XLogP3
2.38
Consensus LogP
2.3
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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