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CAS 119898-59-8 5′-O-(4,4′-Dimethoxytrityl)-inosine molecular structure lightbox
CAS RN: 119898-59-8

5′-O-(4,4′-Dimethoxytrityl)-inosine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-020675
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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 119898-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

119898-59-8 / 9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one

5'-O-DMT-rI | 5'-O-(4,4'-dimethoxytrityl)-inosine | CHEMBL376689

Standard CAS: 119898-59-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119898-59-8
Multi CAS
Yes
Molecular Formula
C31H30N4O7
Molecular Weight
570.600000
Exact Mass
570.211449
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CNC6=O)O)O
InChI
InChI=1S/C31H30N4O7/c1-39-22-12-8-20(9-13-22)31(19-6-4-3-5-7-19,21-10-14-23(40-2)15-11-21)41-16-24-26(36)27(37)30(42-24)35-18-34-25-28(35)32-17-33-29(25)38/h3-15,17-18,24,26-27,30,36-37H,16H2,1-2H3,(H,32,33,38)/t24-,26-,27-,30-/m1/s1
InChIKey
PQXVLEMIGAJLIN-BQOYKFDPSA-N
Synonyms
5'-O-DMT-rI 5'-O-(4,4'-dimethoxytrityl)-inosine CHEMBL376689 Inosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI) 5/'/'-O-(4,4/'/'-Dimethoxytrityl)-inosine

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
27
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
3
Molar refractivity
152.34
TPSA
140.95

LogP / Solubility

WLOGP
2.76
MLOGP
2.48
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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