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CAS 127212-34-4 Inosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]- molecular structure lightbox
CAS RN: 127212-34-4

Inosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-

  • Product code: SSC-034702
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 127212-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

127212-34-4 / 9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-1H-purin-6-one

Standard CAS: 127212-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127212-34-4
Multi CAS
No
Molecular Formula
C37H44N4O7Si
Molecular Weight
684.900000
Exact Mass
684.297926
SMILES
CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI
InChI=1S/C37H44N4O7Si/c1-36(2,3)49(6,7)48-32-31(42)29(47-35(32)41-23-40-30-33(41)38-22-39-34(30)43)21-46-37(24-11-9-8-10-12-24,25-13-17-27(44-4)18-14-25)26-15-19-28(45-5)20-16-26/h8-20,22-23,29,31-32,35,42H,21H2,1-7H3,(H,38,39,43)/t29-,31-,32-,35-/m1/s1
InChIKey
OPTOBSYBLQDPQN-QSYCCZFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
27
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
2
Molar refractivity
188.4
TPSA
129.95

LogP / Solubility

WLOGP
5.79
MLOGP
5.16
XLogP3
5.79
Consensus LogP
5.58
Log S (ESOL)
-7.42
Class (ESOL)
Insoluble
Log S (Ali)
-9.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.24
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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