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CAS 126922-60-9 5′-O-DMT-N2-DMF-rG molecular structure lightbox
CAS RN: 126922-60-9

5′-O-DMT-N2-DMF-rG

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-034224
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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: 0.25g
  • 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 126922-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

126922-60-9 / N'-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide

Standard CAS: 126922-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126922-60-9
Multi CAS
No
Molecular Formula
C34H36N6O7
Molecular Weight
640.700000
Exact Mass
640.264548
SMILES
CN(C)C=NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)O
InChI
InChI=1S/C34H36N6O7/c1-39(2)19-36-33-37-30-27(31(43)38-33)35-20-40(30)32-29(42)28(41)26(47-32)18-46-34(21-8-6-5-7-9-21,22-10-14-24(44-3)15-11-22)23-12-16-25(45-4)17-13-23/h5-17,19-20,26,28-29,32,41-42H,18H2,1-4H3,(H,37,38,43)/t26-,28-,29-,32-/m1/s1
InChIKey
UHWPBOSIBGBZKD-DWCTZGTLSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
27
Fraction Csp3
0.29
Rotatable bonds
11
H-bond acceptors
11
H-bond donors
3
Molar refractivity
174.18
TPSA
156.55

LogP / Solubility

WLOGP
2.99
MLOGP
2.68
XLogP3
3.4
Consensus LogP
3.02
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.51

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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