CAS RN: 1190021-70-5
ADEFOVIR-D4
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.20250326 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1190021-70-5
- Purity/Analytical Methods: >99.0%
1190021-70-5 / [2-(6-aminopurin-9-yl)-1,1,2,2-tetradeuterioethoxy]methylphosphonic acid
Adefovir-d4 | [2-(6-aminopurin-9-yl)-1,1,2,2-tetradeuterioethoxy]methylphosphonic acid | C8H12N5O4P
Basic Information
CAS
1190021-70-5
Multi CAS
No
Molecular Formula
C8H12N5O4P
Molecular Weight
277.210000
Exact Mass
277.087798
SMILES
[2H]C([2H])(C([2H])([2H])OCP(=O)(O)O)N1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)/i1D2,2D2
InChIKey
SUPKOOSCJHTBAH-LNLMKGTHSA-N
Synonyms
Adefovir-d4
[2-(6-aminopurin-9-yl)-1,1,2,2-tetradeuterioethoxy]methylphosphonic acid
C8H12N5O4P
P-[[2-(6-Amino-9H-purin-9-yl-d4)ethoxy]methyl]phosphonic Acid; 9-(2-Phosphonylmethoxyethyl)adenine-d4; [[2-(6-Amino-9H-purin-9-yl)ethoxy] methyl]phosponic Acid-d4; GS 0393-d4; PMEA-d4;
HY-B1826S2
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
62.6
TPSA
136.38
LogP / Solubility
WLOGP
-0.44
MLOGP
-0.38
XLogP3
-2
Consensus LogP
-0.94
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-4.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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