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CAS 107021-12-5 rac-Tenofovir-d7 molecular structure lightbox
CAS RN: 107021-12-5

rac-Tenofovir-d7

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251020 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS107021-12-5
  • Purity/Analytical Methods: >99.0%
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107021-12-5 / 1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid

Apropovir | Tenofovir (parent) | ((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid

Standard CAS: 107021-12-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107021-12-5
Multi CAS
Yes
Molecular Formula
C9H14N5O4P
Molecular Weight
287.210000
Exact Mass
287.078341
SMILES
CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)
InChIKey
SGOIRFVFHAKUTI-UHFFFAOYSA-N
Synonyms
Apropovir Tenofovir (parent) ((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)- RefChem:382868

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
67.19
TPSA
136.38

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.03
XLogP3
-1.6
Consensus LogP
-0.56
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-4.51

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
2

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