![CAS 709641-78-1 Methanimidamide, N’-[9-[2,5-anhydro-4-C-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-α-L-lyxofuranosyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-N,N-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/709641-78-1.gif)
CAS RN: 709641-78-1
Methanimidamide, N’-[9-[2,5-anhydro-4-C-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-α-L-lyxofuranosyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-N,N-dimethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-180650
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, 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
709641-78-1 / N'-[9-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
Basic Information
CAS
709641-78-1
Multi CAS
Yes
Molecular Formula
C35H36N6O7
Molecular Weight
652.700000
Exact Mass
652.264548
InChI
InChI=1S/C35H36N6O7/c1-40(2)20-37-33-38-30-27(31(43)39-33)36-21-41(30)32-28-29(42)34(48-32,18-46-28)19-47-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,28-29,32,42H,18-19H2,1-4H3,(H,38,39,43)/t28-,29+,32-,34-/m1/s1
InChIKey
GHGCTOJSLHYKAF-GGVMLGSCSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
27
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
11
H-bond donors
2
Molar refractivity
176.85
TPSA
145.55
LogP / Solubility
WLOGP
3.39
MLOGP
3.04
XLogP3
2.7
Consensus LogP
3.04
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
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)
-4.29
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
10
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