CAS RN: 1202645-50-8
9-MethoxyMethyl Guanine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260222 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1202645-50-8
- Purity/Analytical Methods: >99.0%
1202645-50-8 / 2-amino-9-(methoxymethyl)-1H-purin-6-one
9-Methoxymethyl Guanine | 2-Amino-9-(methoxymethyl)-9H-purin-6-ol | 9-Methoxymethylguanine
Basic Information
CAS
1202645-50-8
Multi CAS
No
Molecular Formula
C7H9N5O2
Molecular Weight
195.180000
Exact Mass
195.075625
SMILES
COCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C7H9N5O2/c1-14-3-12-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)
InChIKey
WVWIFQBDNZCHIY-UHFFFAOYSA-N
Synonyms
9-Methoxymethyl Guanine
2-Amino-9-(methoxymethyl)-9H-purin-6-ol
9-Methoxymethylguanine
2-amino-9-(methoxymethyl)-1H-purin-6-one
Valganciclovir Impurity C
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
49.57
TPSA
98.82
LogP / Solubility
WLOGP
-0.69
MLOGP
-0.61
XLogP3
-1
Consensus LogP
-0.77
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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