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CAS 1236287-04-9 Tenofovir (Maleate) molecular structure lightbox
CAS RN: 1236287-04-9

Tenofovir (Maleate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1236287-04-9
  • Purity/Analytical Methods: >99.0%
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1236287-04-9 / [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;(Z)-but-2-enedioic acid

Standard CAS: 1236287-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1236287-04-9
Multi CAS
No
Molecular Formula
C13H18N5O8P
Molecular Weight
403.280000
Exact Mass
403.089300
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C9H14N5O4P.C4H4O4/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;5-3(6)1-2-4(7)8/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1-/t6-;/m1./s1
InChIKey
OPQKUDVCYGLXAH-REVJHSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
5
Molar refractivity
91.61
TPSA
210.98

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.27
XLogP3
-0.34
Consensus LogP
-0.32
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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