CAS RN: 2122333-63-3
Tenofovir diphosphate triethylamine
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.20250307 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2122333-63-3
- Purity/Analytical Methods: >99.0%
2122333-63-3 / [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid;N,N-diethylethanamine
Basic Information
CAS
2122333-63-3
Multi CAS
No
Molecular Formula
C15H31N6O10P3
Molecular Weight
548.360000
Exact Mass
548.131452
SMILES
CCN(CC)CC.C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C9H16N5O10P3.C6H15N/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19;1-4-7(5-2)6-3/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19);4-6H2,1-3H3/t6-;/m1./s1
InChIKey
SHPQIISMXAPZDX-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
5
Molar refractivity
122.48
TPSA
232.68
LogP / Solubility
WLOGP
1.53
MLOGP
1.39
XLogP3
1.53
Consensus LogP
1.48
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.98
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
4
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