CAS RN: 51549-33-8

5′-O-TBDMS-2′-deoxyguanosine

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Batchno.20250115 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS51549-33-8
  • Purity/Analytical Methods: >99.0%
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51549-33-8 / 2-amino-9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one

Standard CAS: 51549-33-8 Multi CAS: Yes

Basic Information

CAS
51549-33-8
Multi CAS
Yes
Molecular Formula
C16H27N5O4Si
Molecular Weight
381.500000
Exact Mass
381.183231
InChI
InChI=1S/C16H27N5O4Si/c1-16(2,3)26(4,5)24-7-10-9(22)6-11(25-10)21-8-18-12-13(21)19-15(17)20-14(12)23/h8-11,22H,6-7H2,1-5H3,(H3,17,19,20,23)/t9-,10+,11+/m0/s1
InChIKey
SEYILVDPIQPEAP-HBNTYKKESA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
3
Molar refractivity
100.24
TPSA
128.28

LogP / Solubility

WLOGP
1.37
MLOGP
1.23
XLogP3
1.37
Consensus LogP
1.32
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07

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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