CAS RN: 1244022-53-4
6N-HydroxyMethyl Tenofovir Disoproxil
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.20250516 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1244022-53-4
- Purity/Analytical Methods: >99.0%
1244022-53-4 / [[(2R)-1-[6-(hydroxymethylamino)purin-9-yl]propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
Basic Information
CAS
1244022-53-4
Multi CAS
No
Molecular Formula
C20H32N5O11P
Molecular Weight
549.500000
Exact Mass
549.183594
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)NCO)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
InChI
InChI=1S/C20H32N5O11P/c1-13(2)35-19(27)30-10-33-37(29,34-11-31-20(28)36-14(3)4)12-32-15(5)6-25-8-23-16-17(24-9-26)21-7-22-18(16)25/h7-8,13-15,26H,6,9-12H2,1-5H3,(H,21,22,24)/t15-/m1/s1
InChIKey
OCSNDZVWYFILJW-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
16
H-bond donors
2
Molar refractivity
126.36
TPSA
191.68
LogP / Solubility
WLOGP
2.82
MLOGP
2.52
XLogP3
1.7
Consensus LogP
2.35
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
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)
-4.07
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
4.5
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