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CAS 40094-22-2 5′-O-(4,4′-Dimethoxytrityl)-N2-dimethylformamidine-2′-deoxyguanosine molecular structure lightbox
CAS RN: 40094-22-2

5′-O-(4,4′-Dimethoxytrityl)-N2-dimethylformamidine-2′-deoxyguanosine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-148061
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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: 1g
  • Available purity: ＞97%
  • 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 40094-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

40094-22-2 / N'-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide

Standard CAS: 40094-22-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40094-22-2
Multi CAS
Yes
Molecular Formula
C34H36N6O6
Molecular Weight
624.700000
Exact Mass
624.269633
InChI
InChI=1S/C34H36N6O6/c1-39(2)20-36-33-37-31-30(32(42)38-33)35-21-40(31)29-18-27(41)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H,37,38,42)/t27-,28+,29+/m0/s1
InChIKey
YTRIMRXIMVGPAL-ZGIBFIJWSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
27
Fraction Csp3
0.29
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
2
Molar refractivity
172.79
TPSA
136.32

LogP / Solubility

WLOGP
4.02
MLOGP
3.58
XLogP3
3.5
Consensus LogP
3.7
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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