![CAS 441785-25-7 PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/441785-25-7.gif)
CAS RN: 441785-25-7
PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]- (9CI)
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS441785-25-7
- Purity/Analytical Methods: >99.0%
441785-25-7 / [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Basic Information
CAS
441785-25-7
Multi CAS
No
Molecular Formula
C10H14N5O4P
Molecular Weight
299.220000
Exact Mass
299.078341
InChI
InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
InChIKey
KDNSSKPZBDNJDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
69.7
TPSA
136.38
LogP / Solubility
WLOGP
0.09
MLOGP
0.09
XLogP3
-1.8
Consensus LogP
-0.54
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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